SCHEMBL3510842

SCHEMBL3510842

Clc1cccc(Nc2nccc(-c3ccc(Cl)nc3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.75
BCR P11274 4/20 0.75
PRKCA P17252 1/20 0.75
PRKCD Q05655 1/20 0.75
CAMK2D Q13557 6/20 0.69
PLK1 P53350 1/20 0.61
CSNK2A1 P68400 2/20 0.57
CDK2 P24941 4/20 0.56
CDK4 P11802 2/20 0.56
CDK1 P06493 2/20 0.55
SMG1 Q96Q15 2/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
CCNT1 O60563 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

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
SCHEMBL6254782 0.86 ABL1 (1.00) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL17152799 0.84 ABL1 (0.55) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3513778 0.84 CAMK2D (0.73) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL4899574 0.83 ABL1 (0.76) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL12275705 0.82 CAMK2D (0.73) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL17152829 0.81 ABL1 (0.51) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL5733933 0.81 CAMK2D (0.71) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3252954 0.80 ABL1 (0.64) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL2328157 0.80 CAMK2D (0.70) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL12801709 0.80 CAMK2D (1.00) ABL1BCRPRKCAPRKCDCAMK2D

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
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
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 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
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 (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 ABL1 2843/4885BCR 2315/4885PRKCA 2607/4885
US-20100137309-A1 FUNGICIDES PHENYL-PYRIMIDNYL-AMINO DERIVATIVES CYP1A1, CYP1A2, PAH ABL1 268/4885BCR 2868/4885PRKCA 4583/4885

“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.