SCHEMBL17898191

SCHEMBL17898191

CC(C)c1ccnc2c1ncn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.42
ADORA2A P29274 1/20 0.42
YTHDC1 Q96MU7 2/20 0.40
NR3C1 P04150 1/20 0.38
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CDK1 P06493 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33

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
SCHEMBL23547298 0.80 ADORA2A (0.49) ADORA1ADORA2ACDK1PDE4APDE4B
SCHEMBL800728 0.75 ADORA1 (0.46) ADORA1ADORA2AYTHDC1TSHRKDM4E
SCHEMBL21849186 0.74 ADORA1 (0.42) ADORA1ADORA2AYTHDC1NR3C1TSHR
SCHEMBL10297563 0.74 ADORA1 (0.39) ADORA1ADORA2AYTHDC1NR3C1TSHR
SCHEMBL17729177 0.73 CDK1 (0.44) ADORA1ADORA2AYTHDC1NR3C1TSHR
SCHEMBL21849304 0.73 TLR9 (0.34)
SCHEMBL16247699 0.73 ADORA1 (0.44) ADORA1ADORA2AYTHDC1TSHRKDM4E
SCHEMBL6124114 0.73 IKBKB (0.33) ADORA1ADORA2AYTHDC1NR3C1TSHR
SCHEMBL17741050 0.73 ADORA1 (0.44) ADORA1ADORA2AYTHDC1TSHRKDM4E
SCHEMBL13548807 0.73 ADORA2A (0.53) ADORA1ADORA2AYTHDC1TSHRKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 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-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 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-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-01-04 US disclosed
US-20160193150-A1 REDUCING OR NON-REDUCING POLYNUCLEOTIDE POLYMER FOR DRUG DELIVERY AND METHOD FOR PREPARING SAME THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-07-07 US 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 (13 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-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 ADORA1 965/4885ADORA2A 1247/4885YTHDC1 3692/4885
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 ADORA1 3193/4885ADORA2A 3310/4885YTHDC1 4136/4885
US-20180009792-A1 CHROMENONE INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A3, SLC16A1, SLC16A7 ADORA1 634/4885ADORA2A 1382/4885YTHDC1 4247/4885
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 ADORA1 3193/4885ADORA2A 3310/4885YTHDC1 4136/4885
US-20160193150-A1 REDUCING OR NON-REDUCING POLYNUCLEOTIDE POLYMER FOR DRUG DELIVERY AND METHOD FOR PREPARING SAME PHAX, PCNP, NUP205 ADORA1 2365/4885ADORA2A 3571/4885YTHDC1 2743/4885
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 ADORA1 372/4885ADORA2A 728/4885YTHDC1 2244/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 ADORA1 4414/4885ADORA2A 4172/4885YTHDC1 4420/4885
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 ADORA1 3193/4885ADORA2A 3310/4885YTHDC1 4136/4885
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 ADORA1 3193/4885ADORA2A 3310/4885YTHDC1 4136/4885
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 ADORA1 3256/4885ADORA2A 3308/4885YTHDC1 4163/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 ADORA1 2544/4885ADORA2A 2658/4885YTHDC1 3013/4885
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK ADORA1 1344/4885ADORA2A 1222/4885YTHDC1 4866/4885
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 ADORA1 1954/4885ADORA2A 2282/4885YTHDC1 4604/4885

“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.