SCHEMBL944679

SCHEMBL944679

COC(=O)c1c(Cl)ccc(C=O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.40
ALDH1A1 P00352 6/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL944373 0.83 KDM4E (0.38) ALDH1A1TSHRLMNAGAAHTT
SCHEMBL1672515 0.83 LMNA (0.43) ALDH1A1TSHRLMNAGAAHTT
SCHEMBL30844049 0.81 ERN1 (0.43) ERN1ALDH1A1TSHRCA12CA1
SCHEMBL26110371 0.81 ERN1 (0.40) ERN1ALDH1A1TSHRHTTCA12
SCHEMBL29955311 0.79 CA12 (0.39) ALDH1A1TSHRLMNAGAAHTT
SCHEMBL18329477 0.78 PTGS2 (0.42) ALDH1A1TSHRLMNAGAAHTT
SCHEMBL1495245 0.78 CA12 (0.50) ALDH1A1TSHRLMNAGAAHTT
SCHEMBL8488636 0.78 ABL1 (0.45) ALDH1A1TSHRLMNAGAAHTT
SCHEMBL31284126 0.77 TSHR (0.40) ALDH1A1TSHRLMNAGAAHTT
SCHEMBL15093769 0.77 CA1 (0.48) ERN1ALDH1A1TSHRLMNAGAA

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
EP-2057133-B1 DI-AMINO-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-08-20 EP disclosed
US-8163742-B2 Di-amino-substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-7872128-B2 Benzisoxazole and isoxazolo-pyridine compounds and method of use AMGEN INC. (US) 2011-01-18 US disclosed
US-7872128-B2 Benzisoxazole and isoxazolo-pyridine compounds and method of use AMGEN INC. (US) 2011-01-18 US disclosed
US-7872128-B2 Benzisoxazole and isoxazolo-pyridine compounds and method of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-2069020-B1 BENZO[D]ISOXAZOLE DERIVATIVES AS C-KIT TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH THE OVER PRODUCTION OF HISTAMINE AMGEN INC (US) 2010-01-27 EP disclosed
EP-2069020-A2 BENZO[D]ISOXAZOLE DERIVATIVES AS C-KIT TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH THE OVER PRODUCTION OF HISTAMINE Amgen Inc. (US) 2009-06-17 EP disclosed
EP-2057133-A2 DI-AMINO-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-05-13 EP disclosed
US-20080318946-A1 Di-amino-substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-12-25 US disclosed
US-20080227779-A1 Heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-18 US disclosed
US-20080227779-A1 Heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-18 US disclosed
US-20080227779-A1 Heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-18 US disclosed
WO-2008011080-A2 BENZO(D) ISOXAZOLE DERIVATIVES AS C-KIT TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH THE OVER PRODUCTION OF HISTAMINE AMGEN INC. (US) 2008-01-24 WO disclosed
WO-2008011110-A2 DI-AMINO-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-01-24 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-20080227779-A1 Heterocyclic compounds and methods of use KIT, TPSG1, CMA1 ERN1 2706/4885ALDH1A1 1560/4885TSHR 3115/4885
US-20080318946-A1 Di-amino-substituted heterocyclic compounds and methods of use KIT, CMA1, TPSG1 ERN1 4210/4885ALDH1A1 856/4885TSHR 2685/4885

“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.