Sugi Predict

Sugi Predict / Compounds / SCHEMBL3673411

SCHEMBL3673411

SCHEMBL3673411

Cc1ccccc1-c1cc2cnc(NC3CCNCC3)nc2n(C2CCNCC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.51
▸ CDK2 P24941 14/20 0.51
▸ CCND1 P24385 12/20 0.51
▸ CCNE1 P24864 11/20 0.51
▸ CDK6 Q00534 9/20 0.51
▸ CDK4 P11802 6/20 0.51
▸ CCNT1 O60563 3/20 0.51
▸ CDK9 P50750 3/20 0.51
▸ MAPK14 Q16539 2/20 0.49
▸ LCK P06239 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CCNA2 P20248 3/20 0.47
▸ FGFR1 P11362 3/20 0.47
▸ FGFR2 P21802 2/20 0.47
▸ FGFR4 P22455 2/20 0.47
▸ FGFR3 P22607 2/20 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
SCHEMBL3676936 0.94 CDK2 (0.49) MAPK8CDK2CCND1CCNE1CDK6
SCHEMBL917926 0.94 MAPK14 (0.56) MAPK8CDK2CCND1CCNE1CDK6
SCHEMBL3675647 0.91 CDK2 (0.47) MAPK8CDK2CCND1CCNE1CDK6
SCHEMBL3679247 0.91 CDK2 (0.49) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL3671453 0.91 CCNE1 (0.64) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL3671814 0.90 MAPK14 (0.53) MAPK8CDK2CCND1CCNE1CDK6
SCHEMBL3674451 0.90 MAPK14 (0.53) MAPK8CDK2CCND1CCNE1CDK6
SCHEMBL3669490 0.89 CDK2 (0.46) MAPK8CDK2CCND1CCNE1CDK6
SCHEMBL4139172 0.89 MAPK14 (0.53) MAPK8CDK2CCND1CCNE1CDK6
SCHEMBL3679931 0.88 CDK2 (0.44) MAPK8CDK2CCND1CCNE1CDK6

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 MAPK8 1902/4885CDK2 393/4885CCND1 539/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK8 60/4885CDK2 944/4885CCND1 4075/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK8 62/4885CDK2 936/4885CCND1 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.