SCHEMBL989522

SCHEMBL989522

CON(C)C(=O)c1ccc2nc(N)n(C3CCCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ OGFRL1 Q5TC84 2/20 0.37
▸ ACSS2 Q9NR19 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37

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
SCHEMBL11111590 0.79 CNR2 (0.45) L3MBTL1HCAR1RPS6KB1POLBALDH1A1
SCHEMBL21310911 0.78 ALDH1A1 (0.52) L3MBTL1HCAR1RPS6KB1CDK4CDK6
SCHEMBL17582784 0.76 RPS6KB1 (0.48) L3MBTL1RPS6KB1OPRM1OPRD1OPRK1
SCHEMBL5836096 0.75 HPD (0.52) ALDH1A1KDM4E
SCHEMBL3605908 0.75 HTR1A (0.44) CDK4CCND1CCNE1CDK2CCND3
SCHEMBL4833983 0.73 PI4KB (0.58) —
SCHEMBL11116471 0.73 PI4KB (0.43) L3MBTL1HCAR1RPS6KB1OPRM1OPRD1
SCHEMBL2362323 0.73 CYP11B2 (0.50) L3MBTL1HCAR1RPS6KB1OPRM1OPRD1
SCHEMBL18547196 0.72 GPR119 (0.47) OPRM1OPRD1OGFRL1
SCHEMBL2361982 0.72 TP53 (0.43) L3MBTL1HCAR1RPS6KB1ALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 — — US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 — — US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 — — EP disclosed
EP-1631288-A1 POSITIVE MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2006-03-08 — — EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 — — WO disclosed
WO-2004098600-A1 POSITIVE MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2004-11-18 — — WO 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-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 L3MBTL1 2220/4885HCAR1 4137/4885RPS6KB1 170/4885

“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.

Send feedback