Sugi Predict

Sugi Predict / Compounds / SCHEMBL3670797

SCHEMBL3670797

SCHEMBL3670797

CC(=O)N1CCC(n2c(=O)c(-c3ccccc3C)cc3cnc(NC4CCN(C(=O)c5ccccc5)CC4)nc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.47
▸ CCNE1 P24864 17/20 0.47
▸ CCND1 P24385 14/20 0.47
▸ CDK6 Q00534 13/20 0.47
▸ CDK4 P11802 3/20 0.47
▸ CCNT1 O60563 3/20 0.47
▸ CDK9 P50750 3/20 0.47
▸ MAPK14 Q16539 2/20 0.45
▸ CCNA2 P20248 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ CCND3 P30281 1/20 0.43

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
SCHEMBL4765796 0.96 CDK2 (0.45) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3677074 0.96 CDK2 (0.45) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3674104 0.96 CDK2 (0.45) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3673601 0.94 CCNE1 (0.52) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3669704 0.94 MAPK14 (0.50) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3672409 0.94 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3667789 0.93 CCNE1 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL916901 0.91 MAPK14 (0.52) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3674447 0.91 CCNE1 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL3667639 0.91 CCNE1 (0.49) CDK2CCNE1CCND1CDK6CDK4

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
US-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 — — US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 — — US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 — — EP disclosed
US-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 — — US disclosed
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 — — 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 (3 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-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS PNPO, TPMT, NOD1 CDK2 393/4885CCNE1 863/4885CCND1 539/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CDK2 944/4885CCNE1 4327/4885CCND1 4075/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CDK2 936/4885CCNE1 4312/4885CCND1 4031/4885

“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.