SCHEMBL13623210

SCHEMBL13623210

N#Cc1ccc([N+](=O)[O-])cc1OCCSc1cccc(Nc2nc(Cl)ncc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
ERBB2 P04626 1/20 0.39
PIN1 Q13526 2/20 0.38
CDK2 P24941 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
CCNA1 P78396 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.36
VCAM1 P19320 1/20 0.36
ZAP70 P43403 1/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 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
SCHEMBL1026960 0.86 EGFR (0.37) EGFRERBB2
SCHEMBL1025813 0.86 ALDH1A1 (0.38) EGFRERBB2PIN1CDK2CCNT1
SCHEMBL1025065 0.83 PIN1 (0.43) EGFRPIN1CDK2ABCG2MAPT
Trifluoroacetic Acid SCHEMBL1026585 0.80 ABCG2 (0.35) EGFRPIN1CDK2ABCG2MAPT
SCHEMBL1025851 0.80 CCNE1 (0.49) EGFRPIN1CDK2ABCG2MAPT
SCHEMBL1025246 0.77 PIN1 (0.45) PIN1CDK2ABCG2MAPTLMNA
SCHEMBL16513305 0.75 PIN1 (0.56) EGFRPIN1CDK2CCNA2ABCG2
SCHEMBL1024220 0.72 ALK (0.40) EGFR
SCHEMBL1026332 0.72 BCL6 (0.41) EGFRMAPTLMNASMN1; SMN2NPC1
SCHEMBL1025353 0.71 BCL6 (0.41) EGFRPIN1

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 EGFR 180/4885ERBB2 106/4885PIN1 1565/4885

“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.