SCHEMBL5887380

SCHEMBL5887380

Cc1nc(N2CC3CC2CN3Cc2ccccc2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(F)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
HDAC1 Q13547 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NAMPT P43490 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
KLKB1 P03952 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MAPK8 P45983 2/20 0.35
RECQL P46063 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL5887581 0.90 KLKB1 (0.38) PPARGHDAC1NAMPTLMNAKLKB1
SCHEMBL5887234 0.90 HDAC1 (0.42) HDAC1RXFP1ALDH1A1TP53LMNA
SCHEMBL5887131 0.87 HDAC1 (0.40) HDAC1RXFP1ALDH1A1TP53LMNA
SCHEMBL5887359 0.86 MAOA (0.41) PPARGHDAC1LMNA
SCHEMBL5887284 0.85 MAPT (0.40) HDAC1RXFP1ALDH1A1TP53LMNA
SCHEMBL5887537 0.85 ALDH1A1 (0.41) HDAC1ALDH1A1TP53LMNAMEN1
SCHEMBL5886769 0.84 PPARG (0.43) PPARGHDAC1RXFP1ALDH1A1NAMPT
SCHEMBL5887193 0.84 SMN1; SMN2 (0.43) PPARGRXFP1ALDH1A1NAMPTTP53
SCHEMBL5887463 0.83 LMNA (0.45) HDAC1TP53LMNAMEN1KMT2A
SCHEMBL5887531 0.82 HDAC1 (0.42) HDAC1JAK2JAK1IGF1R

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-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

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 PPARG 3749/4885HDAC1 1062/4885RXFP1 4707/4885

“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.