SCHEMBL12237657

SCHEMBL12237657

Brc1cnc(NC2CCCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
GAA P10253 1/20 0.59
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
PAK1 Q13153 1/20 0.46
MAPK1 P28482 3/20 0.46
ULK1 O75385 1/20 0.44
CTSK P43235 1/20 0.40
HPGDS O60760 1/20 0.39
HCAR3 P49019 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
ADORA1 P30542 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL10187962 0.96 KDM4E (0.53) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL248829 0.91 MAPK1 (0.48) KDM4EGAAHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL1669811 0.89 MAPK1 (0.47) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL16039969 0.82 MAPK8 (0.49) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL12125228 0.82 GRM5 (0.49) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL1256168 0.82 MAPK1 (0.69) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL4701457 0.82 IGF1R (0.46) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL1332209 0.82 GRM5 (0.49) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL16039970 0.82 MAPK8 (0.49) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL1332208 0.82 GRM5 (0.49) KDM4EGAAHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH INC (US) 2023-04-20 US disclosed
US-11497738-B2 Di-substituted pyrazole compounds for the treatment of diseases FGH BIOTECH, INC. (US) 2022-11-15 US disclosed
EP-3448851-B1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH INC (US) 2022-03-23 EP disclosed
CN-109476635-B Disubstituted pyrazoles for treatment of diseases FGH生物科技公司 2021-07-13 CN disclosed
US-20190134017-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 US disclosed
WO-2017190086-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH, INC. (US) 2017-11-02 WO disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2010012747-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 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 (4 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-20110263565-A1 COMPOUNDS MKI67, CCNA1, CCNT1 KDM4E 1623/4885GAA 456/4885HDAC3 2084/4885
US-20190134017-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 KDM4E 2648/4885GAA 928/4885HDAC3 142/4885
US-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 KDM4E 2648/4885GAA 928/4885HDAC3 142/4885
US-11497738-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 KDM4E 2648/4885GAA 928/4885HDAC3 142/4885

“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.