SCHEMBL3411566

SCHEMBL3411566

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.81
RAF1 P04049 11/20 0.71
KDR P35968 4/20 0.69
BRAF P15056 4/20 0.68
CDK8 P49336 3/20 0.68
GSK3B P49841 2/20 0.68
RIPK2 O43353 2/20 0.68
ABCB11 O95342 2/20 0.68
ABL1 P00519 2/20 0.68
HTR1A P08908 2/20 0.68
PDGFRB P09619 2/20 0.68
ADORA3 P0DMS8 2/20 0.68
KIT P10721 2/20 0.68
FGFR1 P11362 2/20 0.68
PDGFRA P16234 2/20 0.68
FLT1 P17948 2/20 0.68
MAOA P21397 2/20 0.68
EPHA1 P21709 2/20 0.68
TBXA2R P21731 2/20 0.68
EPHA2 P29317 2/20 0.68

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
SCHEMBL29793192 0.92 RAF1 (0.83) RETRAF1KDRBRAFCDK8
SCHEMBL3408499 0.92 RAF1 (0.83) RETRAF1KDRBRAFCDK8
SCHEMBL939087 0.91 RAF1 (0.85) RETRAF1KDRBRAFCDK8
SCHEMBL1506380 0.89 RET (1.00) RETRAF1KDRBRAFCDK8
SCHEMBL13945940 0.88 RET (0.83) RETRAF1KDRBRAFCDK8
Formamide SCHEMBL28340615 0.87 RAF1 (0.79) RETRAF1KDRBRAFCDK8
SCHEMBL3411523 0.87 RET (0.82) RETRAF1KDRBRAFCDK8
SCHEMBL4609009 0.87 BRAF (0.82) RETRAF1KDRBRAFCDK8
SCHEMBL3540164 0.84 RAF1 (0.83) RETRAF1KDRBRAFCDK8
SCHEMBL3413779 0.84 RET (0.74) RETRAF1KDRBRAFCDK8

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-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
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 US disclosed
EP-1603879-A2 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-14 EP disclosed
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-18 US disclosed
WO-2004078128-A2 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 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-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS CDK4, MKI67, TP53 RET 605/4885RAF1 761/4885KDR 135/4885
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders CDK4, MKI67, TP53 RET 605/4885RAF1 761/4885KDR 135/4885

“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.