SCHEMBL944683

SCHEMBL944683

COC(=O)c1c(Cl)ccc(C(Cl)=NO)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ABL1 P00519 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL9118991 0.84 ABL1 (0.39) MEN1KMT2ALMNASMN1; SMN2ABL1
SCHEMBL8488636 0.84 ABL1 (0.45) MEN1KMT2ALMNASMN1; SMN2ABL1
SCHEMBL8492766 0.81 ALDH1A1 (0.46) MEN1KMT2ALMNASMN1; SMN2ABL1
SCHEMBL12912739 0.77 TAS1R3 (0.40) MEN1KMT2ALMNASMN1; SMN2TAS1R3
SCHEMBL947831 0.77 TAS1R3 (0.40) MEN1KMT2ALMNASMN1; SMN2TAS1R3
SCHEMBL18302352 0.75 ALDH1A1 (0.39) MEN1KMT2ATAS1R3TAS1R1ALDH1A1
SCHEMBL18502960 0.75 ALDH1A1 (0.39) MEN1KMT2ATAS1R3TAS1R1ALDH1A1
SCHEMBL18302353 0.75 ALDH1A1 (0.39) MEN1KMT2ATAS1R3TAS1R1ALDH1A1
SCHEMBL1495245 0.74 CA12 (0.50) MEN1KMT2ALMNASMN1; SMN2TAS1R3
SCHEMBL18329477 0.74 PTGS2 (0.42) LMNASMN1; SMN2TAS1R3TAS1R1CA12

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 12 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
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
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 MEN1 1260/4885KMT2A 749/4885LMNA 1199/4885
US-20080318946-A1 Di-amino-substituted heterocyclic compounds and methods of use KIT, CMA1, TPSG1 MEN1 1924/4885KMT2A 647/4885LMNA 1701/4885

“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.