SCHEMBL3413779

SCHEMBL3413779

O=C(Nc1cccc(Oc2ccnc(C(=O)NN3CCCCC3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.74
KDR P35968 4/20 0.64
RAF1 P04049 13/20 0.64
BRAF P15056 4/20 0.63
RIPK2 O43353 2/20 0.63
ABCB11 O95342 2/20 0.63
ABL1 P00519 2/20 0.63
HTR1A P08908 2/20 0.63
PDGFRB P09619 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
KIT P10721 2/20 0.63
FGFR1 P11362 2/20 0.63
PDGFRA P16234 2/20 0.63
FLT1 P17948 2/20 0.63
MAOA P21397 2/20 0.63
EPHA1 P21709 2/20 0.63
TBXA2R P21731 2/20 0.63
EPHA2 P29317 2/20 0.63
TTK P33981 2/20 0.63
EPHX2 P34913 2/20 0.63

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
SCHEMBL3411444 0.92 RAF1 (0.72) RETKDRRAF1BRAFRIPK2
SCHEMBL6382835 0.88 RET (0.58) RETKDRRAF1BRAFRIPK2
SCHEMBL6385620 0.85 RAF1 (0.56) RETKDRRAF1BRAFRIPK2
SCHEMBL1506380 0.85 RET (1.00) RETKDRRAF1BRAFRIPK2
SCHEMBL939087 0.85 RAF1 (0.85) RETKDRRAF1BRAFRIPK2
SCHEMBL3411566 0.84 RET (0.81) RETKDRRAF1BRAFRIPK2
SCHEMBL13945940 0.84 RET (0.83) RETKDRRAF1BRAFRIPK2
SCHEMBL3411523 0.83 RET (0.82) RETKDRRAF1BRAFRIPK2
SCHEMBL13648130 0.80 RET (0.88) RETKDRRAF1BRAFRIPK2
SCHEMBL3405252 0.79 RET (0.75) RETKDRRAF1BRAFRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 US claimed
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-18 US claimed
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 US disclosed
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 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 (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-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS CDK4, MKI67, TP53 RET 605/4885KDR 135/4885RAF1 761/4885
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders CDK4, MKI67, TP53 RET 605/4885KDR 135/4885RAF1 761/4885

“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.