SCHEMBL1938235

SCHEMBL1938235

CC(C)c1cccc(Nc2ncc(C(F)(F)F)c(Cl)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.50
CTSC P53634 5/20 0.45
CDK1 P06493 4/20 0.44
CCNK O75909 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
PRKCQ Q04759 1/20 0.43
ULK1 O75385 2/20 0.42
AURKA O14965 1/20 0.42
PTK2 Q05397 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL1933968 0.91 SYK (0.51) SYKCTSCCDK1PRKCQULK1
SCHEMBL2511679 0.89 SYK (0.46) SYKCTSCCDK1PRKCQULK1
SCHEMBL2510831 0.89 SYK (0.46) SYKCTSCCDK1PRKCQULK1
SCHEMBL2507979 0.86 SYK (0.44) SYKCTSCCDK1PRKCQAURKA
SCHEMBL1917536 0.83 CDK1 (0.59) SYKCTSCCDK1PRKCQ
SCHEMBL1935627 0.82 SYK (0.47) SYKCTSCCDK1PRKCQPTK2
SCHEMBL1917205 0.81 KDR (0.56) SYKCTSCCDK1PRKCQPTK2
SCHEMBL27850474 0.81 ULK1 (0.60) SYKCTSCCDK1ULK1AURKA
SCHEMBL2508768 0.81 SYK (0.54) SYKCTSCCDK1PRKCQPTK2
SCHEMBL1916571 0.80 GSK3A (0.56) SYKCTSCCDK1CDK9AURKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 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-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C SYK 1469/4885CTSC 2436/4885CDK1 685/4885

“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.