SCHEMBL178706

SCHEMBL178706

COC(=O)c1cc(-c2ccc3c(cnn3C)c2)nc2c3ccc(I)cc3n(Cc3ccc(OC)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.44
CREBBP Q92793 1/20 0.38
PLA2G2A P14555 5/20 0.38
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
MTOR P42345 2/20 0.35
PIK3CG P48736 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.34

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
SCHEMBL142075 0.92 PLA2G2A (0.46) CACNA1HCREBBPPLA2G2APTGS2KDM4E
SCHEMBL109314 0.84 CACNA1H (0.42) CACNA1HPLA2G2AGAAMAPTKMT2A
SCHEMBL170380 0.84 PDE1B (0.41) CACNA1HCREBBPJAK2
SCHEMBL143205 0.78 PLA2G2A (0.49) PLA2G2AKDM4EALDH1A1GLAGAA
SCHEMBL141523 0.76 PLA2G2A (0.47) PLA2G2AKDM4EALDH1A1JAK2MAPT
SCHEMBL144259 0.72 JAK2 (0.42) PLA2G2AKDM4EALDH1A1GAAJAK2
SCHEMBL144258 0.72 HDAC1 (0.37) PLA2G2AKDM4EALDH1A1GLAGAA
SCHEMBL143937 0.71 PPARG (0.44) PLA2G2AKDM4EALDH1A1GLAGAA
SCHEMBL13284186 0.71 PPARG (0.44) PLA2G2APTGS2KDM4EALDH1A1GLA
SCHEMBL143786 0.71 JAK2 (0.52) PLA2G2AALDH1A1GLAHPGDCASP1

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 CACNA1H 4219/4885CREBBP 1087/4885PLA2G2A 4509/4885

“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.