SCHEMBL2945171

SCHEMBL2945171

Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cnccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.63
BCR P11274 8/20 0.63
KDR P35968 3/20 0.63
ADORA3 P0DMS8 2/20 0.63
NR1I2 O75469 1/20 0.63
PTGS1 P23219 1/20 0.63
CHRNA4 P43681 1/20 0.63
PDE3A Q14432 1/20 0.63
PDGFRA P16234 11/20 0.59
PDGFRB P09619 5/20 0.59
EGFR P00533 1/20 0.59
PRKCA P17252 1/20 0.59
KIT P10721 6/20 0.55
BRAF P15056 2/20 0.54
ABL2 P42684 2/20 0.51
EPHB6 O15197 1/20 0.51
CA12 O43570 1/20 0.51
CACNA1F O60840 1/20 0.51
SLC22A3 O75751 1/20 0.51
STK10 O94804 1/20 0.51

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
SCHEMBL2945981 0.90 BRAF (0.68) ABL1BCRKDRADORA3NR1I2
SCHEMBL868006 0.84 ABL1 (0.77) ABL1BCRKDRPDGFRAPDGFRB
SCHEMBL29441265 0.84 ABL1 (0.77) ABL1BCRKDRPDGFRAPDGFRB
Hydrochloric Acid SCHEMBL868161 0.83 ABL1 (0.76) ABL1BCRKDRPDGFRAPDGFRB
SCHEMBL1415439 0.82 ABL1 (0.74) ABL1BCRKDRPDGFRAPDGFRB
SCHEMBL12744294 0.82 ABL1 (0.75) ABL1BCRKDRPDGFRAPDGFRB
SCHEMBL2938799 0.81 ABL1 (0.60) ABL1BCRKDRADORA3NR1I2
SCHEMBL869136 0.81 ABL1 (0.72) ABL1BCRKDRPDGFRAPDGFRB
SCHEMBL2939690 0.81 ABL1 (0.60) ABL1BCRKDRADORA3NR1I2
SCHEMBL2941288 0.81 ABL1 (0.68) ABL1BCRKDRADORA3NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635835-B1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2010-01-06 EP claimed
EP-1635835-B1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2010-01-06 EP disclosed
US-20060293340-A1 2-Aminopyrimidine derivatives as raf kinase inhibitors NOVARTIS AG (CH) 2006-12-28 US disclosed
EP-1635835-A1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS Novartis AG (CH) 2006-03-22 EP disclosed
WO-2004110452-A1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2004-12-23 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-20060293340-A1 2-Aminopyrimidine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF ABL1 72/4885BCR 1002/4885KDR 138/4885

“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.