SCHEMBL1025813

SCHEMBL1025813

N#Cc1ccc([N+](=O)[O-])cc1NCCSc1cccc(Nc2nc(Cl)ncc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
PIN1 Q13526 1/20 0.38
ABCG2 Q9UNQ0 5/20 0.36
EGFR P00533 3/20 0.35
VCAM1 P19320 1/20 0.35
ERBB2 P04626 1/20 0.35
CDK2 P24941 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
CCNA1 P78396 1/20 0.35
RECQL P46063 1/20 0.35
GLA P06280 2/20 0.34
CCNE1 P24864 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33

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
Trifluoroacetic Acid SCHEMBL1026585 0.93 ABCG2 (0.35) ALDH1A1PIN1ABCG2EGFRCDK2
SCHEMBL13623210 0.86 EGFR (0.39) ALDH1A1PIN1ABCG2EGFRVCAM1
SCHEMBL1025851 0.79 CCNE1 (0.49) ALDH1A1PIN1ABCG2EGFRCDK2
SCHEMBL1025065 0.77 PIN1 (0.43) ALDH1A1PIN1ABCG2EGFRCDK2
SCHEMBL1025246 0.76 PIN1 (0.45) ALDH1A1PIN1ABCG2CDK2CCNE1
SCHEMBL16513305 0.75 PIN1 (0.56) ALDH1A1PIN1ABCG2EGFRCDK2
SCHEMBL1026960 0.73 EGFR (0.37) EGFRERBB2
SCHEMBL13669984 0.73 CTSC (0.39) EGFR
SCHEMBL4334815 0.72 EGFR (0.42) EGFRMAPT
SCHEMBL13623177 0.71 MAPT (0.44) ALDH1A1PIN1ABCG2EGFRMEN1

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 4 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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP 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 ALDH1A1 2511/4885PIN1 1565/4885ABCG2 1493/4885

“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.