SCHEMBL5886887

SCHEMBL5886887

Cc1nc(N2CCC3CCCCC3C2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.42
RORC P51449 1/20 0.38
LSS P48449 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CTNNB1 P35222 2/20 0.37
TCF7L2 Q9NQB0 2/20 0.37
MCHR1 Q99705 1/20 0.36
NAMPT P43490 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36

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
SCHEMBL5887290 0.91 ALDH1A1 (0.44) ALDH1A1LMNAAKT1AKT2
SCHEMBL5886693 0.90 MAPK8 (0.38) CNR2ALDH1A1LMNANAMPTAKT1
SCHEMBL5887036 0.89 EPHX2 (0.39) RORCALDH1A1NAMPT
SCHEMBL5887095 0.86 ALDH1A1 (0.44) ALDH1A1LMNANAMPT
SCHEMBL5886867 0.85 BRAF (0.48) BRAFLSSALDH1A1LMNACTNNB1
SCHEMBL5886837 0.85 KMT2A (0.47) BRAFLMNAMCHR1
SCHEMBL5887260 0.85 KMT2A (0.42) BRAFLMNACTNNB1TCF7L2
SCHEMBL5886908 0.84 BRAF (0.39) BRAFRORCNAMPT
SCHEMBL5887202 0.84 BRAF (0.38) BRAFRORCLSSCNR1CNR2
SCHEMBL5886703 0.84 NAMPT (0.37) ALDH1A1CTNNB1TCF7L2NAMPT

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-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US claimed
US-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors PHARMACIA ITALIA S.P.A. 2004-01-15 US claimed
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 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-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors TERT, TERF2, TERF2IP BRAF 1390/4885RORC 3073/4885LSS 4170/4885

“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.