SCHEMBL8270602

SCHEMBL8270602

Cc1cnc(-c2ccc(Cl)s2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
NOS1 P29475 1/20 0.38
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRC P12931 1/20 0.34
CDK2 P24941 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
NFKB1 P19838 1/20 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
SCHEMBL20175446 0.86 NOS1 (0.44) NOS1KDM4EMEN1MAPTKMT2A
SCHEMBL10625595 0.84 CYP2A6 (0.39) CYP2A6PDGFRBPDGFRAKDM1AKDM4E
SCHEMBL10141290 0.84 NOS1 (0.43) NOS1KDM4EMEN1MAPTKMT2A
SCHEMBL10625609 0.80 CYP2A6 (0.44) CYP2A6PDGFRBPDGFRAKDM1AKDM4E
SCHEMBL8287081 0.78 NPC1 (0.36) CYP2A6NOS1KDM4EMEN1MAPT
SCHEMBL12462949 0.77 NOS1 (0.38) NOS1SRCCDK2ZAP70SYK
SCHEMBL299972 0.77 MAPT (0.42) NOS1KDM4EMEN1MAPTKMT2A
SCHEMBL17232445 0.77 CYP2A6 (0.39) CYP2A6PDGFRBPDGFRAKDM1AKDM4E
SCHEMBL20288050 0.76 NOS1 (0.36) NOS1SRCCDK2ZAP70SYK
SCHEMBL144429 0.74 CYP2A6 (0.45) CYP2A6PDGFRBPDGFRAKDM1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
WO-2006034789-A1 PROLINE DERIVATIVES MERCK PATENT GMBH (DE) 2006-04-06 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-20070265259-A1 Proline Derivatives F2, XPNPEP1, PRAP1 CYP2A6 3503/4885PDGFRB 699/4885PDGFRA 736/4885

“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.