SCHEMBL4357785

SCHEMBL4357785

N[N+]12C=CN=CC1=C(C1=CC=C1)N=C2c1ccc(C(=O)c2ccccc2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
TNK2 Q07912 1/20 0.31
SRD5A2 P31213 2/20 0.31
PTPRC P08575 1/20 0.31
VCAM1 P19320 1/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL4353084 0.89 POLB (0.32) ALOX15TNK2PTPRC
SCHEMBL4365532 0.85 MEN1 (0.33) SRD5A2
SCHEMBL4354030 0.83 MAPK13 (0.33) ALOX15TNK2
SCHEMBL4360715 0.80 TNK2 (0.33) TNK2
SCHEMBL4366228 0.76 TNK2 (0.46) ALOX15HSD17B1HSD17B2TNK2
SCHEMBL2462686 0.75
SCHEMBL4365479 0.75 TNK2 (0.34) ALOX15TNK2
SCHEMBL401088 0.75
SCHEMBL4358853 0.74 TNK2 (0.35) TNK2VCAM1
SCHEMBL4356084 0.72 TNK2 (0.30) TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 ALOX15 4597/4885HSD17B1 839/4885HSD17B2 722/4885

“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.