SCHEMBL141017

SCHEMBL141017

COC(=O)c1cc(OC)ncc1-c1nc(-c2ccc(OC)cc2)cc(C(=O)OC)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.43
JAK2 O60674 1/20 0.42
KLK7 P49862 1/20 0.42
LIMK1 P53667 1/20 0.41
CCKAR P32238 1/20 0.41
PRKDC P78527 1/20 0.41
ATR Q13535 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
ALPL P05186 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL141016 0.87 PLA2G2A (0.55) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL140353 0.84 PLA2G2A (0.64) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL110884 0.82 PLA2G2A (0.59) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL139274 0.81 L3MBTL1 (0.41) KDM4ECYP1A2CYP2C9CYP2C19MAPT
SCHEMBL108830 0.81 PLA2G2A (0.55) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL110393 0.78 DHODH (0.52) PLA2G2AKDM4EMAPT
SCHEMBL15976429 0.77 PLA2G2A (0.57) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL110395 0.77 PLA2G2A (0.69) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL23062635 0.74 KDM4E (0.50) PLA2G2AKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL143039 0.74 KDM4E (0.57) PLA2G2AKDM4EMAPTTP53LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 PLA2G2A 4509/4885KDM4E 928/4885CYP1A2 1040/4885

“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.