SCHEMBL4900780

SCHEMBL4900780

OCCCNc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)ccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 5/20 0.74
▸ MTOR P42345 3/20 0.74
▸ SMG1 Q96Q15 3/20 0.74
▸ CDK2 P24941 3/20 0.74
▸ CDK5 Q00535 3/20 0.74
▸ CDK5R1 Q15078 3/20 0.74
▸ CDK4 P11802 2/20 0.74
▸ CCNB1 P14635 2/20 0.74
▸ CCNA2 P20248 2/20 0.74
▸ CCND1 P24385 2/20 0.74
▸ CDK7 P50613 2/20 0.74
▸ CCNH P51946 2/20 0.74
▸ NPC1 O15118 2/20 0.74
▸ MAPT P10636 2/20 0.74
▸ XBP1 P17861 2/20 0.74
▸ MAPK1 P28482 2/20 0.74
▸ HTT P42858 2/20 0.74
▸ RAB9A P51151 2/20 0.74
▸ CCNT1 O60563 1/20 0.74
▸ CCNE1 P24864 1/20 0.74

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
SCHEMBL4905384 0.96 CDK1 (0.71) CDK1MTORSMG1CDK2CDK5
SCHEMBL4897031 0.94 MTOR (0.64) CDK1MTORSMG1CDK2CDK5
SCHEMBL4897306 0.88 CSNK2A1 (0.73) CDK1MTORSMG1CDK2CDK5
SCHEMBL7813208 0.87 MTOR (0.57) CDK1MTORSMG1CDK2CDK5
Ethylenediamine SCHEMBL7811225 0.87 CSNK2A1 (0.71) CDK1MTORSMG1CDK2CDK5
SCHEMBL6107154 0.87 MTOR (0.55) CDK1MTORSMG1CDK2CDK5
SCHEMBL7813711 0.86 CSNK2A1 (0.57) CDK1MTORSMG1CDK2CDK5
SCHEMBL6110038 0.86 AURKA (0.60) CDK1MTORSMG1CDK2CDK5
SCHEMBL6109957 0.85 MTOR (0.54) CDK1MTORSMG1CDK2CDK5
SCHEMBL1574530 0.85 CDK1 (1.00) CDK1MTORSMG1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 — — US claimed
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 — — EP claimed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 — — EP claimed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 — — WO claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 — — US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 — — EP disclosed
US-7109197-B2 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2006-09-19 — — US disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 — — WO disclosed
EP-1292190-B1 N-PHENYL-4-(4-PYRIDYL)-2-PYRIMIDINEAMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-24 — — EP disclosed
US-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. 2003-12-25 — — US disclosed
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 — — EP disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 — — EP disclosed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 — — 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 (2 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-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives HRH4, HRH3, HRH2 CDK1 2196/4885MTOR 4509/4885SMG1 1422/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP CDK1 264/4885MTOR 1338/4885SMG1 448/4885

“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.

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