SCHEMBL2625723

SCHEMBL2625723

Cn1cc(-c2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.51
CCNE2 O96020 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
MAPT P10636 1/20 0.43
ALK Q9UM73 1/20 0.42
ERN1 O75460 2/20 0.41
USP30 Q70CQ3 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
BAZ2B Q9UIF8 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
SCHEMBL26090248 0.89 CCNT1 (0.51) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL1813610 0.84 ALDH1A1 (0.47) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL29074148 0.83 MAPT (0.43) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL17785856 0.82 ALDH1A1 (0.47) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL965803 0.81 HTT (0.49) ALKUSP30ALDH1A1KMT2ALMNA
SCHEMBL24304323 0.81 DYRK1A (0.47)
SCHEMBL24304520 0.81 FEN1 (0.52) ALOX5APFEN1MAPTALK
SCHEMBL24304935 0.80 FEN1 (0.54) FEN1MAPTALKUSP30JAK2
SCHEMBL12138397 0.80 ALK (0.43) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL30495862 0.79 CCNT1 (0.44) CCNT1CCNE2CCNE1CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119370-A1 BRD4-JAK2 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-04-21 US disclosed
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
EP-2427453-B1 SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2013-07-17 EP disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
WO-2010145883-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-12-23 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 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 (2 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-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A CCNT1 294/4885CCNE2 883/4885CCNE1 402/4885
US-20220119370-A1 BRD4-JAK2 INHIBITORS BRD4, BICRA, JAK2 CCNT1 437/4885CCNE2 788/4885CCNE1 859/4885

“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.