SCHEMBL10693005

SCHEMBL10693005

Oc1cnc2[nH]ncc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.36
RET P07949 1/20 0.36
PI4KA P42356 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MAPK1 P28482 3/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
DYRK1A Q13627 1/20 0.31
HSP90AA1 P07900 1/20 0.31
IDO1 P14902 1/20 0.31
CDK2 P24941 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ADORA2A P29274 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 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
SCHEMBL30696088 1.00 XDH (0.36) XDHRETPI4KALRRK2PI4K2B
SCHEMBL29912846 0.78 MAPK1 (0.52) XDHRETPI4KALRRK2PI4K2B
SCHEMBL12849248 0.78 MAPK1 (0.52) XDHRETPI4KALRRK2PI4K2B
SCHEMBL15242452 0.74 HTT (0.38) XDHRETPI4KALRRK2PI4K2B
SCHEMBL15243535 0.74 NOS1 (0.35) XDHRETPI4KALRRK2PI4K2B
SCHEMBL23996471 0.74 XDH (0.32) XDHRETPI4KALRRK2PI4K2B
SCHEMBL31058073 0.74 CHEK1 (0.35) RETLRRK2FGFR1FGFR3DYRK1A
SCHEMBL11865612 0.71 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2JAK2JAK3ALDH1A1
SCHEMBL21388695 0.69 AXL (0.35) RETMAPK1FGFR3RAB9AALDH1A1
SCHEMBL21477564 0.69 PIK3CG (0.36) MAPK1ALDH1A1CYP1A2

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
JP-63017882-A None JP disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 US disclosed
JP-S6317882-A 5-SUBSTITUTED-1H-PYRAZOLO(3,4-B)PYRAZINE DERIVATIVE AND ANTITUMOR AGENT CONTAINING SAID COMPOUND LION CORP 1988-01-25 JP 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 (2 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 XDH 3676/4885RET 11/4885PI4KA 461/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 XDH 3676/4885RET 11/4885PI4KA 461/4885

“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.