SCHEMBL3756850

SCHEMBL3756850

Cc1nc2cc(Br)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
NR1H2 P55055 7/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
BACE1 P56817 2/20 0.37
PPARA Q07869 1/20 0.37
USP30 Q70CQ3 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NR1H3 Q13133 2/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 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
SCHEMBL30847402 0.89 USP30 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL12158 0.89 USP30 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL10173079 0.83 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL6783942 0.83 HSD17B10 (0.53) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL856144 0.82 TBXA2R (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL4527113 0.81 CCNB2 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL481590 0.81 BACE1 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL29967119 0.80 BACE1 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL28877791 0.80 BACE1 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL133464 0.80 ALDH1A1 (0.57) MAPTGAANR1H2ALDH1A1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702021-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2026-03-04 EP disclosed
WO-2024224064-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2024-10-31 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
CN-107531683-B USP7 inhibitor compounds and methods of use 豪夫迈·罗氏有限公司 2022-05-13 CN disclosed
EP-3271333-B1 USP7 INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2022-01-12 EP disclosed
EP-3271333-A1 USP7 INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2018-01-24 EP disclosed
US-9573899-B2 USP7 inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
US-9573899-B2 USP7 inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
US-9573899-B2 USP7 inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
WO-2016150800-A1 USP7 INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-29 WO disclosed
US-20160272588-A1 USP7 INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2016-09-22 US disclosed
US-20160272588-A1 USP7 INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2016-09-22 US disclosed
WO-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR CCNB2 3536/4885CDK1 197/4885CCNB1 2415/4885
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 CCNB2 1133/4885CDK1 512/4885CCNB1 808/4885
US-20160272588-A1 USP7 INHIBITOR COMPOUNDS AND METHODS OF USE USP7, UBA7, USP1 CCNB2 1133/4885CDK1 378/4885CCNB1 1313/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 CCNB2 1162/4885CDK1 130/4885CCNB1 758/4885

“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.