SCHEMBL16401213

SCHEMBL16401213

Nc1cc(-c2cc[nH]n2)n[nH]1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1673128 0.76
SCHEMBL2462292 0.72 DYRK1A (0.30) GAA
SCHEMBL15720345 0.69 TP53 (0.59)
SCHEMBL28466328 0.68 ALPL (0.58) NPC1
SCHEMBL168659 0.68 POLB (0.61) GAA
SCHEMBL1593197 0.68 PIN1 (0.56) KDM4ENPC1HSD17B10
SCHEMBL30040683 0.68 PIN1 (0.56) KDM4ENPC1HSD17B10
SCHEMBL644755 0.68 ADORA2A (0.40) KDM4ENPC1GAAHSD17B10
SCHEMBL643407 0.68 ADORA3 (0.34) NPC1
SCHEMBL28313237 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326159-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 US claimed
EP-3004097-A1 KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2016-04-13 EP disclosed
WO-2014195402-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 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-20160326159-A1 HETEROARYL SUBSTITUTED PYRAZOLES CYP3A43, CYP2C19, CYP3A7 KDM4E 4061/4885NPC1 156/4885GAA 268/4885

“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.