SCHEMBL4258345

SCHEMBL4258345

Cc1cc(-c2csc(-c3cccnc3)n2)c(C)c2c1OCC(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.52
CYP19A1 P11511 7/20 0.50
AXL P30530 1/20 0.48
PBRM1 Q86U86 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45

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
SCHEMBL13932193 0.87 CYP17A1 (0.53) CYP17A1CYP19A1AXLPBRM1MKNK1
SCHEMBL4258355 0.85 CYP17A1 (0.51) CYP17A1CYP19A1AXLPBRM1MKNK1
SCHEMBL4264187 0.83 CYP19A1 (0.53) CYP17A1CYP19A1AXLPBRM1MKNK1
SCHEMBL4258369 0.82 POLB (0.41) CDK5CDK5R1RAB9ANPC1MAPT
SCHEMBL4264617 0.82 CYP19A1 (0.53) CYP17A1CYP19A1AXLPBRM1MKNK1
SCHEMBL4266707 0.79 POLB (0.36) CDK5CDK5R1RAB9ANPC1MAPT
SCHEMBL4258310 0.76 CYP19A1 (0.54) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL4260706 0.75 RAB9A (0.55) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL4264246 0.74 RAB9A (0.54) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL4260398 0.73 NR3C2 (0.56) CYP19A1CDK5CDK5R1RAB9ANPC1

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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 CYP17A1 51/4885CYP19A1 54/4885AXL 4021/4885

“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.