SCHEMBL3536367

SCHEMBL3536367

Cc1nnc(-c2ccc(C)c(-c3cc4cnc(NC5CCOCC5)nc4n(C4CCCC4)c3=O)c2)o1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
CCNE1 P24864 14/20 0.49
CDK2 P24941 14/20 0.49
CCND1 P24385 11/20 0.49
CDK6 Q00534 11/20 0.49
CCNT1 O60563 4/20 0.49
CDK9 P50750 4/20 0.49
CDK4 P11802 3/20 0.49
LCK P06239 1/20 0.47
CCND3 P30281 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 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
SCHEMBL3532459 0.97 MAPK14 (0.53) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3535627 0.90 MAPK14 (0.48) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3534149 0.89 MAPK14 (0.65) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3541762 0.87 MAPK14 (0.50) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3532738 0.86 MAPK14 (0.49) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3535700 0.80 MAPK14 (0.63) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3537917 0.80 MAPK14 (0.63) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3677049 0.80 MAPK14 (0.64) MAPK14CCNE1CDK2CCND1CDK6
SCHEMBL3535335 0.79 MAPK14 (0.61) MAPK14LCKMAPK8MAPK9MAPK10
SCHEMBL3536515 0.79 MAPK14 (0.60) MAPK14LCKMAPK8MAPK9MAPK10

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-7645764-B2 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2010-01-12 US claimed
US-7645764-B2 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2010-01-12 US disclosed
US-7645764-B2 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2010-01-12 US disclosed
US-7645764-B2 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2010-01-12 US disclosed
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide ROCHE PALO ALTO LLC 2008-06-05 US disclosed
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide ROCHE PALO ALTO LLC 2008-06-05 US disclosed
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide ROCHE PALO ALTO LLC 2008-06-05 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-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide MAP3K6, MAP3K1, MAP3K2 MAPK14 44/4885CCNE1 691/4885CDK2 58/4885

“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.