SCHEMBL143989

SCHEMBL143989

CS(=O)(=O)N1CCN(Cc2ccc3c(F)c(-c4cc5ccccc5[nH]c4=O)[nH]c3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.45
PARP1 P09874 10/20 0.45
CHEK1 O14757 1/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
KCNH2 Q12809 3/20 0.41
PARP2 Q9UGN5 3/20 0.41
KDR P35968 3/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TNK2 Q07912 3/20 0.39
TNK1 Q13470 3/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7116590 0.93 CHEK1 (0.46) ALKPARP1CHEK1KDM4ELMNA
SCHEMBL143698 0.83 NPSR1 (0.43) CHEK1KDM4EKDRGAAALDH1A1
SCHEMBL142580 0.82 CHEK1 (0.59) CHEK1KDR
SCHEMBL6270308 0.81 PARP1 (0.41) PARP1CHEK1KDM4EKCNH2PARP2
SCHEMBL172902 0.80 CHEK1 (0.67) CHEK1KDR
Hydrochloric Acid SCHEMBL5677881 0.79 CHEK1 (0.66) CHEK1KDR
SCHEMBL7508814 0.78 KDM4E (0.43) ALKCHEK1KDM4ELMNAKDR
SCHEMBL27486792 0.78 KDM4E (0.42) ALKCHEK1KDM4ELMNAKDR
SCHEMBL5079425 0.77 CHEK1 (0.62) CHEK1KDR
SCHEMBL5362476 0.77 KDR (0.65) KDM4ELMNAKDRGAAALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 US claimed
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 US claimed
WO-2003020276-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 WO claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
US-6927293-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-08-09 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20040192725-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-09-30 US disclosed
WO-2003020276-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-03-13 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 (3 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-20040192725-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ALK 458/4885PARP1 2637/4885CHEK1 499/4885
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 ALK 3814/4885PARP1 2973/4885CHEK1 3154/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ALK 3814/4885PARP1 2973/4885CHEK1 3154/4885

“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.