SCHEMBL21486439

SCHEMBL21486439

N#Cc1ncccc1-n1cccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
G6PD P11413 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 1/20 0.41
GRM5 P41594 8/20 0.39
MBOAT4 Q96T53 1/20 0.38
ADORA2A P29274 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
NOTUM Q6P988 1/20 0.37
TDO2 P48775 1/20 0.37
CDK2 P24941 1/20 0.37
GRM1 Q13255 1/20 0.36

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
SCHEMBL28867159 0.78 NOTUM (0.40) CYP11B1NOTUMGRM1HCRTR1HCRTR2
SCHEMBL5856346 0.77 CYP2A6 (0.44) KDM4EALDH1A1LMNAGAACYP11B1
SCHEMBL30664780 0.77 ALDH1A1 (0.52) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL610743 0.77 CYP11B1 (0.41) GAACYP11B1GRM5CDK2GRM1
SCHEMBL16277941 0.76 MBOAT4 (0.48) NPC1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL4219748 0.75 NPC1 (0.51) NPC1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL29563253 0.75 NPC1 (0.51) NPC1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL21988997 0.74 GRM5 (0.42) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL28300532 0.74 MAPK1 (0.50) NPC1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL4215654 0.74 NPC1 (0.50) NPC1MAPK1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12103921-B2 Chemical compounds PFIZER INC. (US) 2024-10-01 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-20220348555-A1 Chemical Compounds PFIZER INC. (US) 2022-11-03 US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 US disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 WO disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 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 (7 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885MAPK1 2425/4885KDM4E 2745/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885MAPK1 2425/4885KDM4E 2745/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885MAPK1 2425/4885KDM4E 2745/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885MAPK1 2425/4885KDM4E 2745/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885MAPK1 2425/4885KDM4E 2745/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885MAPK1 2425/4885KDM4E 2745/4885
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 NPC1 3927/4885MAPK1 152/4885KDM4E 1467/4885

“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.