SCHEMBL3949771

SCHEMBL3949771

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5nccs5)n4)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 12/20 0.78
ABL1 P00519 11/20 0.78
LDLR P01130 9/20 0.78
PCSK9 Q8NBP7 9/20 0.78
PDGFRB P09619 7/20 0.78
BCR P11274 3/20 0.76
ADORA3 P0DMS8 2/20 0.76
NR1I2 O75469 1/20 0.76
PTGS1 P23219 1/20 0.76
KDR P35968 1/20 0.76
CHRNA4 P43681 1/20 0.76
PDE3A Q14432 1/20 0.76
LCK P06239 4/20 0.75
LYN P07948 4/20 0.75
PDGFRA P16234 4/20 0.75
FLT3 P36888 4/20 0.75
DDR2 Q16832 4/20 0.75
EPHB2 P29323 2/20 0.75
HCK P08631 2/20 0.75
SRC P12931 2/20 0.75

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
SCHEMBL3950634 0.91 ABL1 (0.65) KITABL1LDLRPCSK9PDGFRB
SCHEMBL3949165 0.88 ABL1 (0.70) KITABL1LDLRPCSK9PDGFRB
SCHEMBL3945617 0.88 ABL1 (0.81) KITABL1LDLRPCSK9PDGFRB
SCHEMBL20502596 0.88 KIT (1.00) KITABL1LDLRPCSK9PDGFRB
SCHEMBL20502607 0.88 KIT (0.89) KITABL1LDLRPCSK9PDGFRB
SCHEMBL20502603 0.87 KIT (0.85) KITABL1LDLRPCSK9PDGFRB
SCHEMBL15703764 0.86 ABL1 (0.79) KITABL1LDLRPCSK9PDGFRB
Radotinib SCHEMBL3359952 0.86 ABL1 (1.00) KITABL1LDLRPCSK9PDGFRB
SCHEMBL3949140 0.86 CSF1R (0.59) KITABL1LDLRPCSK9PDGFRB
Radotinib SCHEMBL29366343 0.86 ABL1 (1.00) KITABL1LDLRPCSK9PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501424-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL-YANG PHARM. CO., LTD. (KR) 2009-03-10 US claimed
US-20080096899-A1 N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof IL-YANG PHARM. CO., LTD. (KR) 2008-04-24 US claimed
CN-104940748-A Medicine composition for treating gastric cancer LIN ZHENGXING 2015-09-30 CN disclosed
EP-1922309-B1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO LTD (KR) 2014-05-21 EP disclosed
US-7501424-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL-YANG PHARM. CO., LTD. (KR) 2009-03-10 US disclosed
US-20080096899-A1 N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof IL-YANG PHARM. CO., LTD. (KR) 2008-04-24 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 (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-20080096899-A1 N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof ITPA, TYMP, THPO KIT 131/4885ABL1 451/4885LDLR 4755/4885

“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.