SCHEMBL277687

SCHEMBL277687

[c]1ccnc2ncccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.32
KDM4E B2RXH2 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.32
HSP90AA1 P07900 2/20 0.32
ALOX15 P16050 2/20 0.32
CCR1 P32246 2/20 0.32
HTT P42858 2/20 0.32
CCR5 P51681 2/20 0.32
CCR8 P51685 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GMNN O75496 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP9 P14780 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL22121824 0.74 KDM4E (0.31) KDM4ETDP1LMNATP53HSP90AA1
SCHEMBL2409957 0.74 CCR1 (0.37) KDM4ETDP1LMNAMAPTTP53
SCHEMBL3931795 0.73
SCHEMBL22121613 0.72 KDM4E (0.55) KDM4ETDP1LMNAMAPTTP53
SCHEMBL8727 0.71 ALDH1A1 (0.41) KDM4EMAPTCYP3A4ALDH1A1KMT2A
SCHEMBL198852 0.71 KDM4E (0.32) KDM4ETDP1LMNAMAPTTP53
SCHEMBL4854883 0.71 RAB9A (0.34) TP53CCR1CCR5SMN1; SMN2KMT2A
SCHEMBL286319 0.71 NUDT1 (0.33) NUDT1
SCHEMBL3896844 0.70 NR4A2 (0.43) KDM4ETDP1LMNAMAPTTP53
SCHEMBL6163578 0.70 LMNA (0.41) KDM4ETDP1LMNAMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
CN-116836193-A Organic compound, application thereof and organic electroluminescent device comprising same 清华大学 2023-10-03 CN claimed
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP claimed
CN-114787160-A Imidazopyridazines and imidazopyridines as activin receptor-like kinase-2 inhibitors 因赛特公司 2022-07-22 CN claimed
CN-114341124-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2022-04-12 CN claimed
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2021-12-09 US claimed
EP-3898627-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 Incyte Corporation (US) 2021-10-27 EP claimed
WO-2020132197-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 INCYTE CORPORATION (US) 2020-06-25 WO claimed
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-25 US claimed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO claimed
US-5559119-A IMMUNOSUPPRESSANTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-24 US claimed
US-5541192-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US claimed
US-5541191-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US claimed
US-5532355-A IMMUNOSUPPRESSANTS FOR ORGAN TRANSPLANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-02 US claimed
US-5519031-A TREATMENT OF RESTENOSIS, IMMUNOSUPPRESIVE AGENTS, ANTIINFLAMMATORY AGENTS, FUNGICIDES OR ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-21 US claimed
US-5508286-A Rapamycin amidino carbamates AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-16 US claimed
US-5463048-A Immunosuppressive, antiinflammatory, antifungal, antitumor, antiproliferative agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-31 US claimed
US-5385908-A Hindered esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-31 US claimed
US-5385909-A Heterocyclic esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-31 US claimed
US-5215997-A Synthesis of beta-lactam compounds CIBA-GEIGY CORPORATION (US) 1993-06-01 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PTP4A1, PPP5C NUDT1 1131/4885KDM4E 1572/4885TDP1 257/4885
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF ALK, ABL2, ACVR2A NUDT1 525/4885KDM4E 1495/4885TDP1 387/4885

“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.