Sugi Predict

Sugi Predict / Compounds / SCHEMBL3676470

SCHEMBL3676470

SCHEMBL3676470

Cc1ccccc1-c1cc2cnc(NC3CCN(Cc4ccccc4)CC3)nc2n([C@@H]2CCOC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.51
▸ LCK P06239 1/20 0.51
▸ CCNE1 P24864 12/20 0.44
▸ CDK2 P24941 12/20 0.44
▸ CCND1 P24385 10/20 0.44
▸ CDK6 Q00534 10/20 0.44
▸ CCNT1 O60563 3/20 0.44
▸ CDK4 P11802 3/20 0.44
▸ CDK9 P50750 3/20 0.44
▸ CCND3 P30281 1/20 0.42
▸ ACHE P22303 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ PAK1 Q13153 1/20 0.42
▸ PAK2 Q13177 1/20 0.42
▸ BACE1 P56817 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
SCHEMBL3581754 0.95 MAPK14 (0.54) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3673858 0.91 MAPK14 (0.51) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3673118 0.91 MAPK14 (0.51) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3673204 0.90 MAPK14 (0.57) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3675486 0.88 CCNE1 (0.48) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3675280 0.88 CCNE1 (0.49) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3679924 0.88 MAPK14 (0.55) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3670876 0.88 MAPK14 (0.50) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3667742 0.88 MAPK14 (0.50) MAPK14LCKCCNE1CDK2CCND1
SCHEMBL3669677 0.88 MAPK14 (0.50) MAPK14LCKCCNE1CDK2CCND1

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 7 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
EP-1931667-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2008-06-18 — — EP disclosed
WO-2007036791-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2007-04-05 — — 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 (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 MAPK14 1920/4885LCK 469/4885CCNE1 863/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885LCK 551/4885CCNE1 4327/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B MAPK14 136/4885LCK 590/4885CCNE1 4312/4885

“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.