SCHEMBL18525809

SCHEMBL18525809

CSc1ccc2cnccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
CYP19A1 P11511 2/20 0.43
IMPDH2 P12268 4/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
SLC6A4 P31645 1/20 0.40
PRKCZ Q05513 3/20 0.39
MKNK2 Q9HBH9 1/20 0.38
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
CDK1 P06493 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37

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
SCHEMBL22453887 0.93 PRKCZ (0.50) ARCYP19A1PRKCZMKNK2ROCK2
SCHEMBL23731938 0.92 PRKCZ (0.47) ARCYP19A1AKR1C3AKR1C2SLC6A4
SCHEMBL29740644 0.79 AKR1C3 (0.52) AKR1C3AKR1C2SLC6A4
SCHEMBL8637909 0.79 AKR1C3 (0.52) AKR1C3AKR1C2SLC6A4
SCHEMBL29180421 0.74 AKR1C3 (0.48) AKR1C3AKR1C2SLC6A4
SCHEMBL2616771 0.74 CYP2A6 (0.59) CYP19A1IMPDH2PRKCZROCK2PRMT3
SCHEMBL30969150 0.74 CYP2A6 (0.59) CYP19A1IMPDH2PRKCZROCK2PRMT3
SCHEMBL152013 0.74 CYP19A1 (0.45) CYP19A1IMPDH2PRKCZCSNK1DDYRK1A
SCHEMBL25597242 0.72 HPGDS (0.40) CSNK1DDYRK1AHASPIN
SCHEMBL25054156 0.72 CYP19A1 (0.38) ARCYP19A1IMPDH2SLC6A4PRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 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 (9 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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 AR 3772/4885CYP19A1 2389/4885IMPDH2 791/4885
US-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 AR 2009/4885CYP19A1 949/4885IMPDH2 2160/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 AR 1922/4885CYP19A1 1614/4885IMPDH2 1875/4885
US-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI AR 3197/4885CYP19A1 469/4885IMPDH2 4757/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 AR 951/4885CYP19A1 4147/4885IMPDH2 473/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AR 3765/4885CYP19A1 3805/4885IMPDH2 1397/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 AR 951/4885CYP19A1 4147/4885IMPDH2 473/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK AR 2258/4885CYP19A1 3001/4885IMPDH2 1627/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 AR 3745/4885CYP19A1 526/4885IMPDH2 696/4885

“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.