SCHEMBL178708

SCHEMBL178708

COc1ccc(-c2cc(C)c(N)c(-c3ccc(OC)nc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.47
DYRK1A Q13627 2/20 0.46
PIK3CA P42336 2/20 0.43
ATR Q13535 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ADORA2B P29275 1/20 0.42
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
SYK P43405 1/20 0.41
PIK3CD O00329 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL178690 0.86 DYRK1A (0.55) DYRK1ANPC1RAB9AEGFRKDR
SCHEMBL141016 0.81 PLA2G2A (0.55) ACP1ATRNPC1RAB9AKDM4E
SCHEMBL178679 0.79 DYRK1A (0.45) DYRK1ANPC1RAB9AEGFRKDR
SCHEMBL178694 0.77 XDH (0.54) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL1422493 0.75 MKNK1 (0.59) DYRK1APIK3CAKDRPIK3CDPIP5K1C
SCHEMBL108830 0.72 PLA2G2A (0.55) ATRNPC1RAB9AKDM4EKMT2A
SCHEMBL27902100 0.71 KCNH2 (0.70)
SCHEMBL1013776 0.71 PIK3CA (0.50) PIK3CAADORA2BPIK3CDPIP5K1CPIK3CB
SCHEMBL19594605 0.71 PIK3CA (0.50) PIK3CAATRADORA2BPIK3CDPIP5K1C
SCHEMBL29351849 0.70 MKNK1 (0.48) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA

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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 ACP1 825/4885DYRK1A 317/4885PIK3CA 482/4885

“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.