SCHEMBL6107154

SCHEMBL6107154

O=C(O)CCNc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.55
▸ SMG1 Q96Q15 3/20 0.55
▸ CDK1 P06493 2/20 0.55
▸ CDK2 P24941 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ CCNT1 O60563 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CDK4 P11802 1/20 0.55
▸ CCNB1 P14635 1/20 0.55
▸ XBP1 P17861 1/20 0.55
▸ CCNA2 P20248 1/20 0.55
▸ CCND1 P24385 1/20 0.55
▸ CCNE1 P24864 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ CDK7 P50613 1/20 0.55
▸ CDK9 P50750 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ CCNH P51946 1/20 0.55
▸ MNAT1 P51948 1/20 0.55

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
SCHEMBL6110038 0.92 AURKA (0.60) MTORSMG1CDK1CDK2NPC1
SCHEMBL6109957 0.91 MTOR (0.54) MTORSMG1CDK1CDK2NPC1
SCHEMBL4897031 0.88 MTOR (0.64) MTORSMG1CDK1CDK2NPC1
SCHEMBL6109786 0.88 SYK (0.53) MTORSMG1CDK1CDK2NPC1
SCHEMBL7813208 0.87 MTOR (0.57) MTORSMG1CDK1CDK2NPC1
SCHEMBL4900780 0.87 CDK1 (0.74) MTORSMG1CDK1CDK2NPC1
SCHEMBL4897306 0.86 CSNK2A1 (0.73) MTORSMG1CDK1CDK2NPC1
Ethylenediamine SCHEMBL7811225 0.85 CSNK2A1 (0.71) MTORSMG1CDK1CDK2NPC1
SCHEMBL6109413 0.85 CDK1 (0.75) MTORSMG1CDK1CDK2NPC1
SCHEMBL4905384 0.85 CDK1 (0.71) MTORSMG1CDK1CDK2NPC1

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-7109197-B2 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2006-09-19 — — US 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

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-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives HRH4, HRH3, HRH2 MTOR 4509/4885SMG1 1422/4885CDK1 2196/4885

“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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