SCHEMBL3671014

SCHEMBL3671014

CCc1ccccc1-c1cc2cnc(NC3CCN(C(=O)N[C@H](C)C4CCCCC4)CC3)nc2n(C2CCN(Cc3ccccc3)CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 17/20 0.46
CDK2 P24941 17/20 0.46
CCND1 P24385 14/20 0.46
CDK6 Q00534 14/20 0.46
MAPK8 P45983 3/20 0.44
MAPK10 P53779 3/20 0.44
CCNT1 O60563 4/20 0.43
CDK9 P50750 4/20 0.43
CDK4 P11802 4/20 0.42
RB1 P06400 1/20 0.42
CDK1 P06493 1/20 0.42
MAPK9 P45984 2/20 0.42
CCND3 P30281 1/20 0.41

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
SCHEMBL4149937 0.93 MAPK8 (0.45) CCNE1CDK2CCND1CDK6MAPK8
SCHEMBL3674910 0.87 MAPK8 (0.51) CCNE1CDK2CCND1CDK6MAPK8
SCHEMBL3669722 0.87 MAPK8 (0.51) CCNE1CDK2CCND1CDK6MAPK8
SCHEMBL3677669 0.83 DPP7 (0.47) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3673901 0.83 MAPK8 (0.46) CCNE1CDK2CCND1CDK6MAPK8
SCHEMBL3675022 0.82 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3672761 0.81 MAPK8 (0.45) CCNE1CDK2CCND1CDK6MAPK8
SCHEMBL3682314 0.81 MAPK8 (0.50) CCNE1CDK2CCND1CDK6MAPK8
SCHEMBL3674101 0.81 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL3673904 0.80 CCNE1 (0.46) CCNE1CDK2CCND1CDK6CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 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-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CCNE1 4327/4885CDK2 944/4885CCND1 4075/4885

“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.