SCHEMBL3031996

SCHEMBL3031996

CCNc1cc(-c2nc(Nc3cccc(Cl)c3)nn2C[C@@H](O)CC)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 5/20 0.47
▸ CDK2 P24941 4/20 0.47
▸ CDK4 P11802 3/20 0.47
▸ CDK5 Q00535 3/20 0.47
▸ CDK5R1 Q15078 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ CCNB1 P14635 2/20 0.47
▸ CCNA2 P20248 2/20 0.47
▸ CCND1 P24385 2/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ CCNH P51946 2/20 0.47
▸ SMG1 Q96Q15 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ XBP1 P17861 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ MTOR P42345 1/20 0.47

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
SCHEMBL3014887 1.00 CDK1 (0.47) CDK1CDK2CDK4CDK5CDK5R1
SCHEMBL3014891 1.00 CDK1 (0.47) CDK1CDK2CDK4CDK5CDK5R1
SCHEMBL3026111 0.89 MAPT (0.44) CDK1CDK2CDK4CDK5CDK5R1
SCHEMBL827829 0.77 MAPK14 (0.36) MAPTCSNK2A1
SCHEMBL828648 0.77 MAPK14 (0.36) MAPTCSNK2A1
SCHEMBL3014873 0.75 JAK2 (0.38) CDK2CDK4MAPK1
SCHEMBL3014868 0.75 JAK2 (0.38) CDK2CDK4MAPK1
SCHEMBL6107344 0.74 CSNK2A1 (0.77) CDK1CDK2CDK4CDK5CDK5R1
SCHEMBL1514236 0.74 TDO2 (0.41) CDK1CDK2CDK4CDK5CDK5R1
SCHEMBL12762531 0.74 TDO2 (0.41) CDK1CDK2CDK4CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212309-B1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2013-06-19 — — EP disclosed
US-8440701-B2 Trisubstituted 1,2,4 triazoles JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 — — US disclosed
US-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-08-26 — — US disclosed
EP-2212309-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES Janssen Pharmaceutica N.V. (BE) 2010-08-04 — — EP disclosed
WO-2009050186-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2009-04-23 — — 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-20100216846-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNB1 CDK1 2511/4885CDK2 2446/4885CDK4 3328/4885

“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