SCHEMBL374399

SCHEMBL374399

CCOC(=O)c1ccc(CBr)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HSD17B2 P37059 1/20 0.44
NOTUM Q6P988 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL27605598 0.89 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL10973660 0.88 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1676672 0.85 NOTUM (0.61) CA12CA1CA2CA7CA9
Phosphine SCHEMBL28019024 0.84 NOTUM (0.60) CA12CA1CA2CA7CA9
SCHEMBL989378 0.84 NOTUM (0.55) CA12CA1CA2CA7CA9
SCHEMBL1993657 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL14859498 0.83 NOTUM (0.44) CA12CA1CA2CA9CA14
SCHEMBL374633 0.82 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL31094175 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL6160950 0.82 CA12 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 EP disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof GENENTECH, INC. (US) 2016-03-03 US disclosed
US-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 US disclosed
EP-1533304-B1 AMIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 2009-11-04 EP disclosed
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 US disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
EP-1761505-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2007-03-14 EP disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 EP disclosed
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 WO disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 EP 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-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 CA12 4586/4885CA1 3272/4885CA2 1754/4885
US-20060014742-A1 Amide derivative ABL1, ABL2, BCR CA12 4864/4885CA1 4808/4885CA2 3469/4885
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 CA12 1952/4885CA1 1951/4885CA2 2804/4885
US-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR CA12 4714/4885CA1 4727/4885CA2 1951/4885

“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.