SCHEMBL6426431

SCHEMBL6426431

COc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(/C=C/c3cnccn3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
SPR P35270 1/20 0.37
MAPK1 P28482 1/20 0.36
KDR P35968 5/20 0.35
ITK Q08881 4/20 0.35
BRD9 Q9H8M2 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
FGFR1 P11362 3/20 0.34
PLK4 O00444 2/20 0.33
AURKA O14965 2/20 0.33
MAP4K4 O95819 2/20 0.33
PAK4 O96013 2/20 0.33
ABL1 P00519 2/20 0.33
LCK P06239 2/20 0.33
CSF1R P07333 2/20 0.33
RET P07949 2/20 0.33
MET P08581 2/20 0.33
PDGFRB P09619 2/20 0.33
KIT P10721 2/20 0.33

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
SCHEMBL4145057 0.90 TP53 (0.41) MAPK1KDRRAB9APOLB
SCHEMBL4145060 0.90 TP53 (0.41) MAPK1KDRRAB9APOLB
SCHEMBL6425792 0.89 HPGDS (0.44) HPGDSSPRMAPK1RAB9AAURKA
SCHEMBL6427849 0.89 RECQL (0.46) POLB
SCHEMBL6427810 0.88 RAB9A (0.38) MAPK1KDRITKRAB9APOLB
SCHEMBL6428814 0.87 KDM4E (0.43) HPGDSSPRKDRBRD9RAB9A
SCHEMBL6427769 0.87 RAB9A (0.36) KDRRAB9APOLBFGFR1RET
SCHEMBL4139780 0.86 GSK3B (0.42)
SCHEMBL4139787 0.86 GSK3B (0.42)
SCHEMBL13927767 0.86 HPGDS (0.38) HPGDSSPRMAPK1ITKBRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HPGDS 3567/4885SPR 3128/4885MAPK1 6/4885

“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.