SCHEMBL3410987

SCHEMBL3410987

O=C(Nc1ccc(Oc2ccnc(-c3nnn[nH]3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.72
KDR P35968 10/20 0.65
FLT1 P17948 2/20 0.65
BRAF P15056 2/20 0.62
MEN1 O00255 1/20 0.62
PLK4 O00444 1/20 0.62
CIT O14578 1/20 0.62
AURKA O14965 1/20 0.62
MUSK O15146 1/20 0.62
EPHB6 O15197 1/20 0.62
MAPK13 O15264 1/20 0.62
MLNR O43193 1/20 0.62
MAP3K7 O43318 1/20 0.62
RIPK2 O43353 1/20 0.62
DYRK3 O43781 1/20 0.62
PDE6D O43924 1/20 0.62
NR1I2 O75469 1/20 0.62
STK10 O94804 1/20 0.62
CDK14 O94921 1/20 0.62
ABCB11 O95342 1/20 0.62

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
SCHEMBL6388343 0.92 RAF1 (0.63) RAF1KDRFLT1BRAFMEN1
SCHEMBL13547755 0.88 RAF1 (0.66) RAF1KDRFLT1BRAF
SCHEMBL3175872 0.85 RAF1 (0.72) RAF1KDRBRAFPLK4AURKA
SCHEMBL27876892 0.83 KDR (0.71) RAF1KDRFLT1BRAFMEN1
SCHEMBL13547761 0.83 RAF1 (0.67) RAF1KDRFLT1BRAFRET
SCHEMBL6388341 0.82 RAF1 (0.51) RAF1KDRFLT1BRAFMEN1
SCHEMBL27860276 0.82 KDR (0.70) RAF1KDRFLT1BRAFMEN1
SCHEMBL3711970 0.82 RAF1 (0.77) RAF1KDRFLT1BRAFMEN1
SCHEMBL3413370 0.81 RAF1 (0.68) RAF1KDRFLT1BRAFMEN1
SCHEMBL27876838 0.81 KDR (0.71) RAF1KDRFLT1BRAFMEN1

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 8 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
EP-1603879-A2 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-14 EP claimed
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-18 US claimed
WO-2004078128-A2 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO 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
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 US disclosed
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-18 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 RAF1 761/4885KDR 135/4885FLT1 81/4885
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders CDK4, MKI67, TP53 RAF1 761/4885KDR 135/4885FLT1 81/4885

“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.