SCHEMBL3513778

SCHEMBL3513778

Clc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 0.73
ABL1 P00519 2/20 0.70
BCR P11274 2/20 0.70
PRKCA P17252 1/20 0.70
PRKCD Q05655 1/20 0.70
PLK1 P53350 1/20 0.67
CSNK2A1 P68400 2/20 0.66
CDK2 P24941 4/20 0.64
CDK1 P06493 2/20 0.64
SMG1 Q96Q15 2/20 0.64
MAPT P10636 2/20 0.64
CDK4 P11802 2/20 0.64
NPC1 O15118 1/20 0.64
CCNT1 O60563 1/20 0.64
CCNB1 P14635 1/20 0.64
XBP1 P17861 1/20 0.64
CCNA2 P20248 1/20 0.64
CCND1 P24385 1/20 0.64
CCNE1 P24864 1/20 0.64
MAPK1 P28482 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
SCHEMBL5733933 0.88 CAMK2D (0.71) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL4899574 0.88 ABL1 (0.76) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL2330123 0.87 PLK1 (0.56) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL7813342 0.87 PIK3CA (0.67) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL5732902 0.87 CAMK2D (0.77) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL2328157 0.87 CAMK2D (0.70) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL2321985 0.85 CAMK2D (0.67) CAMK2DABL1BCRPRKCAPRKCD
Water SCHEMBL7813855 0.85 PIK3CA (0.65) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL5629076 0.85 CSNK2A1 (0.74) CAMK2DABL1BCRPRKCAPRKCD
SCHEMBL12801709 0.84 CAMK2D (1.00) CAMK2DABL1BCRPRKCAPRKCD

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 40 patents — showing the first 20. 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-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP claimed
EP-0672042-B1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2006-05-03 EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO claimed
WO-1999035140-A1 PYRIDINYLPYRIMIDINE AMINES AS IMMUNOGLOBULINE E (IgE) SYNTHESIS INHIBITORS NOVARTIS AG (CH) 1999-07-15 WO claimed
US-5705502-A Pharmacologically active pyrimidineamine derivatives and processes for the preparation thereof NOVARTIS CORPORATION (US) 1998-01-06 US claimed
EP-0672042-A1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP claimed
WO-1995009851-A1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO claimed
US-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2155713-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES Bayer CropScience SA (FR) 2010-02-24 EP disclosed
WO-2008138992-A1 FUNGICIDES PHENYL-PYRIMDINYL-AMINO DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-11-20 WO disclosed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
US-5728708-A ANTITUMOR AGENTS NOVARTIS CORPORATION (US) 1998-03-17 US disclosed
US-5705502-A Pharmacologically active pyrimidineamine derivatives and processes for the preparation thereof NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
EP-0672042-A1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009851-A1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP CAMK2D 3611/4885ABL1 2843/4885BCR 2315/4885
US-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES CYP1A1, CYP1A2, PAH CAMK2D 3935/4885ABL1 268/4885BCR 2868/4885

“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.