Sugi Predict

Sugi Predict / Compounds / SCHEMBL3300973

SCHEMBL3300973

SCHEMBL3300973

O=c1ccc2cnc(NC3CCCCC3)nc2n1C1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCND1 P24385 16/20 0.67
▸ CDK2 P24941 15/20 0.67
▸ CCNE1 P24864 12/20 0.67
▸ CDK4 P11802 10/20 0.67
▸ CDK6 Q00534 9/20 0.67
▸ CCNT1 O60563 3/20 0.67
▸ CDK9 P50750 3/20 0.67
▸ MAPK8 P45983 2/20 0.61
▸ FGFR1 P11362 4/20 0.61
▸ CCNA2 P20248 4/20 0.61
▸ FGFR2 P21802 4/20 0.61
▸ FGFR4 P22455 4/20 0.61
▸ FGFR3 P22607 4/20 0.61
▸ MAPK9 P45984 1/20 0.61
▸ MAPK10 P53779 1/20 0.61
▸ CCND2 P30279 6/20 0.60
▸ CCND3 P30281 6/20 0.60
▸ CCNA1 P78396 2/20 0.59
▸ CCNE2 O96020 1/20 0.59

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
SCHEMBL24571858 0.94 CDK2 (0.70) CCND1CDK2CCNE1CDK4CDK6
SCHEMBL5269917 0.92 CCND1 (0.78) CCND1CDK2CCNE1CDK4CDK6
SCHEMBL3306096 0.92 CCND1 (0.78) CCND1CDK2CCNE1CDK4CDK6
SCHEMBL3304583 0.85 CCND1 (0.72) CCND1CDK2CCNE1CDK4CDK6
SCHEMBL29507974 0.85 MAPK8 (0.63) CCND1CDK2CCNE1CDK4CDK6
SCHEMBL24571860 0.84 CCNE1 (0.77) CCND1CDK2CCNE1CDK4CDK6
SCHEMBL18148251 0.83 CDK2 (0.74) CCND1CDK2CCNE1CDK4CDK6
SCHEMBL16802795 0.83 CDK2 (0.74) CCND1CDK2CCNE1CDK4CDK6
SCHEMBL3303713 0.83 CCND1 (0.66) CCND1CDK2CCNE1CDK4CDK6
SCHEMBL22860375 0.83 MAPK8 (0.62) CCND1CDK2CCNE1CDK4CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 — — US claimed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 — — US claimed
US-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 — — US disclosed
US-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 — — US disclosed
US-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 — — US disclosed
WO-2010046273-A2 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2010-04-29 — — WO disclosed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 — — US disclosed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 — — US disclosed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 — — 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-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK MAP3K20, MAP3K6, MAP3K1 CCND1 506/4885CDK2 41/4885CCNE1 725/4885

“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.