SCHEMBL6430481

SCHEMBL6430481

CCC(CC)CNc1ccnc(Nc2c(C)cc(C)cc2C)c1N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CRHR1 P34998 3/20 0.35
RAPGEF4 Q8WZA2 7/20 0.34
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL6431520 0.81 KMT2A (0.39) LMNAGAACRHR1
SCHEMBL6428405 0.68 HTR1A (0.35) LMNAKCNH2ATM
SCHEMBL6430830 0.68 CRHR1 (0.40) CRHR1
SCHEMBL6466890 0.67 CRHR1 (0.37) LMNAGAACRHR1RAPGEF4
SCHEMBL5789078 0.66 CRHR1 (0.50) CRHR1RAPGEF4
SCHEMBL14446507 0.66 LMNA (0.60) LMNAGAARAPGEF4
SCHEMBL18725691 0.63 FDPS (0.40) KCNH2ATM
SCHEMBL5844351 0.62 CRHR1 (0.53) CRHR1RAPGEF4
SCHEMBL6430842 0.61 LMNA (0.39) LMNAGAACRHR1RAPGEF4
SCHEMBL7013499 0.61 CRHR1 (0.44) LMNAGAACRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CHEN YUHPYNG L (US) 2001-07-12 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-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 LMNA 2532/4885GAA 986/4885CRHR1 2026/4885

“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.