SCHEMBL4897306

SCHEMBL4897306

NCCNc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)ccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 3/20 0.73
▸ CAMK2D Q13557 1/20 0.60
▸ MTOR P42345 3/20 0.59
▸ SMG1 Q96Q15 3/20 0.59
▸ CLK1 P49759 1/20 0.57
▸ CLK2 P49760 1/20 0.57
▸ DYRK1A Q13627 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ DYRK1B Q9Y463 1/20 0.57
▸ AURKA O14965 7/20 0.57
▸ CDK1 P06493 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ CCNT1 O60563 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ CDK4 P11802 1/20 0.56
▸ CCNB1 P14635 1/20 0.56
▸ XBP1 P17861 1/20 0.56
▸ CCNA2 P20248 1/20 0.56
▸ CCND1 P24385 1/20 0.56

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
Ethylenediamine SCHEMBL7811225 0.99 CSNK2A1 (0.71) CSNK2A1CAMK2DMTORSMG1CLK1
SCHEMBL4897031 0.90 MTOR (0.64) CSNK2A1CAMK2DMTORSMG1CLK1
SCHEMBL4900780 0.88 CDK1 (0.74) CSNK2A1MTORSMG1CLK1CLK2
SCHEMBL6110038 0.88 AURKA (0.60) CSNK2A1MTORSMG1CLK1CLK2
SCHEMBL4905384 0.86 CDK1 (0.71) CSNK2A1CAMK2DMTORSMG1CLK1
SCHEMBL6107154 0.86 MTOR (0.55) CSNK2A1MTORSMG1CLK1CLK2
SCHEMBL6109957 0.85 MTOR (0.54) CSNK2A1MTORSMG1CLK1CLK2
SCHEMBL6107651 0.84 CSNK2A1 (1.00) CSNK2A1CAMK2DMTORSMG1CDK1
SCHEMBL6107227 0.84 MTOR (0.57) CSNK2A1MTORSMG1CLK1CLK2
SCHEMBL7813904 0.84 CSNK2A1 (0.55) CSNK2A1MTORSMG1CLK1CLK2

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
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

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 CSNK2A1 3430/4885CAMK2D 4728/4885MTOR 4509/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP CSNK2A1 3858/4885CAMK2D 3611/4885MTOR 1338/4885

“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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