SCHEMBL12883333

SCHEMBL12883333

CC(C)(C)Nc1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
FDPS P14324 1/20 0.43
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16750002 0.83 ALDH1A1 (0.41) ALDH1A1FDPSRAB9ANPC1MAPK1
SCHEMBL7902108 0.80 RAB9A (0.44) ALDH1A1FDPSRAB9ANPC1MAPK1
SCHEMBL7900683 0.80 RAB9A (0.44) ALDH1A1FDPSRAB9ANPC1MAPK1
SCHEMBL8257995 0.77 MAPT (0.52) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL12932912 0.76 NPC1 (0.49) ALDH1A1FDPSRAB9ANPC1MAPK1
SCHEMBL182965 0.76
SCHEMBL30057293 0.76
SCHEMBL21042295 0.75 DEGS1 (0.50)
SCHEMBL12410768 0.75 PTK2 (0.52) ALDH1A1FDPSRAB9ANPC1MAPK1
SCHEMBL14184993 0.75 GPR55 (0.44) RAB9ANPC1SMN1; SMN2KDM4E

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-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-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 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 (6 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-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors SCN1A, SCN1B, SCN5A ALDH1A1 638/4885FDPS 1015/4885RAB9A 1288/4885
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ALDH1A1 3252/4885FDPS 1626/4885RAB9A 4200/4885
US-20190134017-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 ALDH1A1 850/4885FDPS 67/4885RAB9A 1340/4885
US-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 ALDH1A1 850/4885FDPS 67/4885RAB9A 1340/4885
US-11497738-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 ALDH1A1 850/4885FDPS 67/4885RAB9A 1340/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ALDH1A1 3252/4885FDPS 1626/4885RAB9A 4200/4885

“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.