SCHEMBL4146607

SCHEMBL4146607

CC(C)(C)c1cnc2cc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
APP P05067 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
SCN10A Q9Y5Y9 2/20 0.36
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.35
SYK P43405 3/20 0.35
METAP2 P50579 1/20 0.34
KIF11 P52732 2/20 0.33
MMP12 P39900 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL31194365 0.86 BRD4 (0.42) BRD4APPPIK3C3ALOX5APFEN1
SCHEMBL31078377 0.81 HSD17B10 (0.45) BRD4APPPIK3C3KCNH2METAP2
SCHEMBL26823824 0.80 BRD4 (0.39) BRD4APPPIK3C3ALOX5APFEN1
SCHEMBL586478 0.75 BRD4 (0.51) BRD4APPPIK3C3SYKMMP12
SCHEMBL21100918 0.74 SCN10A (0.39) SCN10AKCNH2PDE10ASYKMETAP2
SCHEMBL15829280 0.74 SCN10A (0.43) SCN10AKCNH2PDE10AMETAP2
SCHEMBL19682171 0.74 BRD4 (0.41) BRD4APPPIK3C3ALOX5APFEN1
SCHEMBL15058223 0.72 AHR (0.47) BRD4APPPIK3C3
SCHEMBL761114 0.72 PRKCI (0.53) BRD4SCN10AKCNH2METAP2MMP12
SCHEMBL17449428 0.72 DYRK1A (0.53) SCN10AKCNH2PDE10ASYKMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-01-26 US disclosed
US-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-07-12 US disclosed
US-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 US disclosed
US-8802688-B2 Substituted acetyl-coa carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2014-01-16 US disclosed
US-8580828-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-11-12 US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 US disclosed
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-25 US disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 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 (15 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-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 BRD4 811/4885APP 3451/4885PIK3C3 1345/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF BRD4 1582/4885APP 3418/4885PIK3C3 199/4885
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 BRD4 281/4885APP 560/4885PIK3C3 1624/4885
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 BRD4 234/4885APP 1511/4885PIK3C3 1128/4885
US-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors AURKA, AURKC, AURKB BRD4 681/4885APP 4142/4885PIK3C3 985/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 BRD4 147/4885APP 3789/4885PIK3C3 631/4885
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK BRD4 458/4885APP 2761/4885PIK3C3 160/4885
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 CPS1, CPSF1, CPSF7 BRD4 397/4885APP 4664/4885PIK3C3 4258/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY BRD4 1413/4885APP 864/4885PIK3C3 4367/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC BRD4 3175/4885APP 3064/4885PIK3C3 980/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS BRD4 3179/4885APP 789/4885PIK3C3 3866/4885
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS AURKA, AURKC, AURKB BRD4 619/4885APP 4281/4885PIK3C3 1214/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 BRD4 1108/4885APP 3395/4885PIK3C3 1396/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 BRD4 811/4885APP 3451/4885PIK3C3 1345/4885
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 BRD4 766/4885APP 2062/4885PIK3C3 3926/4885

“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.