SCHEMBL5886791

SCHEMBL5886791

CC(=O)N1CCN(c2nc(C)c3ccc(=O)n(-c4ccc(C(=O)NCc5ccc(C(F)(F)F)cc5)cc4)c3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.48
P2RX3 P56373 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
BRAF P15056 5/20 0.41
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
LSS P48449 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5886763 0.94 SMN1; SMN2 (0.42) ENPP2P2RX3SMN1; SMN2MEN1CYP2C19
SCHEMBL5887405 0.92 SMN1; SMN2 (0.42) ENPP2SMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL5886867 0.92 BRAF (0.48) CYP2C19KMT2ABRAFCTNNB1TCF7L2
SCHEMBL5887410 0.92 SMN1; SMN2 (0.46) ENPP2SMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL5886889 0.91 MAPK10 (0.45) ENPP2SMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL5886918 0.91 CTNNB1 (0.43) SMN1; SMN2MEN1CYP2C19KMT2ABRAF
SCHEMBL5887306 0.91 ME2 (0.42) ENPP2SMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL5887394 0.90 ACHE (0.44) ENPP2SMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL5887146 0.90 CTNNB1 (0.43) ENPP2SMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL5887428 0.90 SMN1; SMN2 (0.42) ENPP2SMN1; SMN2MEN1CYP2C19KMT2A

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 ENPP2 3051/4885P2RX3 922/4885SMN1; SMN2 2219/4885

“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.