SCHEMBL13623199

SCHEMBL13623199

O=[N+]([O-])c1cccc(CCCNc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.50
PIN1 Q13526 1/20 0.43
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
EGFR P00533 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL1073981 0.94 PIN1 (0.45) CTSCPIN1CCNE1CDK2ABCG2
Trifluoroacetic Acid SCHEMBL1076174 0.93 CTSC (0.51) CTSCPIN1CCNE1CDK2NPC1
SCHEMBL1074285 0.88 MAPT (0.47) PIN1EGFRMEN1KMT2AALDH1A1
SCHEMBL1072715 0.85 CTSC (0.56) CTSCSTK17BSTK17A
SCHEMBL1025851 0.83 CCNE1 (0.49) PIN1CCNE1CDK2ABCG2NPC1
SCHEMBL16513305 0.83 PIN1 (0.56) PIN1CDK2ABCG2NPC1RAB9A
SCHEMBL1023414 0.83 CCNE1 (0.44) PIN1CCNE1CDK2ABCG2NPC1
SCHEMBL13623177 0.83 MAPT (0.44) CTSCPIN1ABCG2EGFRMEN1
Trifluoroacetic Acid SCHEMBL1073978 0.83 PIN1 (0.42) CTSCPIN1EGFRALDH1A1
SCHEMBL4369271 0.82 CTSC (0.53) CTSCEGFRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (1 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CTSC 1827/4885PIN1 1565/4885CCNE1 1726/4885

“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.