SCHEMBL4897031

SCHEMBL4897031

OCCNc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.64
▸ SMG1 Q96Q15 3/20 0.64
▸ CDK1 P06493 3/20 0.64
▸ CDK2 P24941 3/20 0.64
▸ CDK4 P11802 2/20 0.64
▸ CCNB1 P14635 2/20 0.64
▸ CCNA2 P20248 2/20 0.64
▸ CCND1 P24385 2/20 0.64
▸ CDK7 P50613 2/20 0.64
▸ CCNH P51946 2/20 0.64
▸ CDK5 Q00535 2/20 0.64
▸ CDK5R1 Q15078 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ CCNT1 O60563 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ XBP1 P17861 1/20 0.64
▸ CCNE1 P24864 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ CDK9 P50750 1/20 0.64

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
SCHEMBL4900780 0.94 CDK1 (0.74) MTORSMG1CDK1CDK2CDK4
SCHEMBL4905384 0.92 CDK1 (0.71) MTORSMG1CDK1CDK2CDK4
SCHEMBL4897306 0.90 CSNK2A1 (0.73) MTORSMG1CDK1CDK2CDK4
Ethylenediamine SCHEMBL7811225 0.89 CSNK2A1 (0.71) MTORSMG1CDK1CDK2CDK4
SCHEMBL6107154 0.88 MTOR (0.55) MTORSMG1CDK1CDK2CDK4
SCHEMBL6110038 0.88 AURKA (0.60) MTORSMG1CDK1CDK2CDK4
SCHEMBL6109957 0.87 MTOR (0.54) MTORSMG1CDK1CDK2CDK4
SCHEMBL6107227 0.86 MTOR (0.57) MTORSMG1CDK1CDK2CDK4
SCHEMBL7813904 0.86 CSNK2A1 (0.55) MTORSMG1CDK1CDK2CDK4
SCHEMBL7813208 0.85 MTOR (0.57) MTORSMG1CDK1CDK2CDK4

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 4 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
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
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 — — 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 (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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP MTOR 1338/4885SMG1 448/4885CDK1 264/4885

“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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