SCHEMBL13623177

SCHEMBL13623177

O=[N+]([O-])c1cccc(OCCNc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
PIN1 Q13526 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CTSC P53634 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALPG P10696 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
MAPK1 P28482 1/20 0.38
EGFR P00533 1/20 0.38
CFTR P13569 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
Trifluoroacetic Acid SCHEMBL1073741 0.94 CTSC (0.42) MAPTPIN1CHRNB2CHRNA4MEN1
SCHEMBL1025065 0.86 PIN1 (0.43) MAPTPIN1CHRNB2CHRNA4MEN1
SCHEMBL1073981 0.84 PIN1 (0.45) MAPTPIN1MEN1KMT2ACTSC
SCHEMBL1075151 0.84 CTSC (0.43) CTSC
SCHEMBL16513305 0.83 PIN1 (0.56) MAPTPIN1MEN1KMT2AALDH1A1
SCHEMBL13623199 0.83 CTSC (0.50) PIN1MEN1KMT2ACTSCALDH1A1
SCHEMBL1074285 0.82 MAPT (0.47) MAPTPIN1MEN1KMT2AALDH1A1
SCHEMBL4360886 0.82 CTSC (0.45) CTSCEGFR
Trifluoroacetic Acid SCHEMBL1073978 0.79 PIN1 (0.42) MAPTPIN1CTSCALDH1A1TDP1
Trifluoroacetic Acid SCHEMBL1076174 0.79 CTSC (0.51) MAPTPIN1MEN1KMT2ACTSC

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 MAPT 3239/4885PIN1 1565/4885CHRNB2 4869/4885

“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.