SCHEMBL18592802

SCHEMBL18592802

OC1CCN(c2cc[nH]n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.40
LRRK2 Q5S007 2/20 0.38
DYRK1A Q13627 2/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KCNMA1 Q12791 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPK12 P53778 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
JAK2 O60674 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18592833 0.89 AR (0.39) SMPD3LRRK2PRKAA1ITGB2ICAM1
SCHEMBL18619764 0.89 AR (0.39) SMPD3LRRK2PRKAA1ITGB2ICAM1
SCHEMBL28272107 0.81 HTR3E (0.47) CHEK1PAK4CHEK2PIM1GSK3B
SCHEMBL30607637 0.81 LRRK2 (0.36) LRRK2
SCHEMBL18612823 0.81 PBRM1 (0.36) JAK2PIM1
SCHEMBL18592911 0.81 PBRM1 (0.36) JAK2PIM1
SCHEMBL18612442 0.80 PIK3CA (0.33) LRRK2JAK3
SCHEMBL18592823 0.80 SMPD3 (0.45) SMPD3LRRK2KCNMA1MAPK12MAPK13
SCHEMBL23008368 0.79 MAP4K4 (0.45) LRRK2EGFRHRH3
SCHEMBL18618670 0.78 SMPD3 (0.41) SMPD3LRRK2LMNAKCNMA1MAPK12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327809-A2 TYK2 INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-02-28 EP disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
EP-3344624-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2023-10-25 EP disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 US disclosed
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-15 US disclosed
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 US disclosed
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 US disclosed
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-18 US disclosed
US-10781204-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-09-22 US disclosed
US-10023571-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2018-07-17 US disclosed
US-10023571-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2018-07-17 US disclosed
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
WO-2017040757-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2017-03-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 SMPD3 1495/4885LRRK2 972/4885DYRK1A 860/4885
US-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 SMPD3 3690/4885LRRK2 819/4885DYRK1A 468/4885
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SMPD3 3923/4885LRRK2 269/4885DYRK1A 27/4885
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 SMPD3 3690/4885LRRK2 819/4885DYRK1A 468/4885
US-10023571-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 SMPD3 3952/4885LRRK2 259/4885DYRK1A 80/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 SMPD3 1495/4885LRRK2 972/4885DYRK1A 860/4885
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 SMPD3 3690/4885LRRK2 819/4885DYRK1A 468/4885
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SMPD3 3923/4885LRRK2 269/4885DYRK1A 27/4885
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 SMPD3 3678/4885LRRK2 903/4885DYRK1A 488/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 SMPD3 1495/4885LRRK2 972/4885DYRK1A 860/4885
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 SMPD3 3690/4885LRRK2 819/4885DYRK1A 468/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 SMPD3 3678/4885LRRK2 903/4885DYRK1A 488/4885
US-10781204-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 SMPD3 3952/4885LRRK2 259/4885DYRK1A 80/4885
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, IP6K1, PDXK SMPD3 2802/4885LRRK2 874/4885DYRK1A 722/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.