SCHEMBL5886983

SCHEMBL5886983

Cc1nc(N2CCC(CCO)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
HTR2A P28223 5/20 0.38
DRD3 P35462 5/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PAK1 Q13153 1/20 0.38
SMYD3 Q9H7B4 3/20 0.37
DRD2 P14416 1/20 0.37
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 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
SCHEMBL5886823 0.88 SMYD3 (0.48) MAPK8CCNE1CDK2LMNASMN1; SMN2
SCHEMBL5887427 0.87 SMN1; SMN2 (0.46) MAPK8CCNE1CDK2LMNASMN1; SMN2
SCHEMBL5887242 0.87 BRD4 (0.47) CCNE1CDK2HTR2ADRD3SMYD3
SCHEMBL5887713 0.86 MAPK8 (0.44) MAPK8LMNASMN1; SMN2TSHRRAB9A
SCHEMBL5887102 0.86 ALDH1A1 (0.40) MAPK8CCNE1CDK2LMNASMN1; SMN2
SCHEMBL5887542 0.85 MAPK8 (0.45) MAPK8CCNE1CDK2HTR2ADRD3
SCHEMBL5887033 0.85 MAPK8 (0.40) MAPK8CCNE1CDK2LMNASMN1; SMN2
SCHEMBL5886718 0.85 CCNE1 (0.45) MAPK8CCNE1CDK2NPC1RAB9A
SCHEMBL5887109 0.85 MAPT (0.39) MAPK8CCNE1CDK2LMNASMN1; SMN2
SCHEMBL5887062 0.85 SMYD3 (0.43) MAPK8CCNE1CDK2LMNASMN1; SMN2

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 MAPK8 770/4885CCNE1 559/4885CDK2 35/4885

“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.