SCHEMBL5887083

SCHEMBL5887083

Cc1nc(N2CCC3CCCCC3C2)nc2c1ccc(=O)n2-c1ccc(C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.38
IP6K1 Q92551 2/20 0.37
IP6K3 Q96PC2 2/20 0.37
IP6K2 Q9UHH9 1/20 0.37
CNR2 P34972 11/20 0.34
HRH3 Q9Y5N1 2/20 0.33
KDM1A O60341 1/20 0.33
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CCND2 P30279 2/20 0.32
CCND3 P30281 2/20 0.32
PTPN11 Q06124 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
SCHEMBL5886894 0.88 HRH3 (0.40) CNR2HRH3
SCHEMBL5887290 0.83 ALDH1A1 (0.44)
SCHEMBL5886693 0.81 MAPK8 (0.38) CNR2
SCHEMBL5887184 0.81 CHEK1 (0.46) CDK4CCND1CCND2CCND3
SCHEMBL5886887 0.81 BRAF (0.42) CNR2
SCHEMBL5887095 0.81 ALDH1A1 (0.44)
SCHEMBL5887089 0.80 GPR119 (0.32) GPR119HRH3KDM1A
SCHEMBL5887036 0.80 EPHX2 (0.39) GPR119
SCHEMBL5887545 0.80 HSD11B1 (0.40)
SCHEMBL5887189 0.80 SMN1; SMN2 (0.44) CNR2HRH3

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 GPR119 4543/4885IP6K1 416/4885IP6K3 418/4885

“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.