SCHEMBL1845693

SCHEMBL1845693

[NH]C(=O)c1ccc(Nc2ccc(Oc3ccncc3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.48
KDR P35968 2/20 0.48
MAPK14 Q16539 1/20 0.48
TNNI3K Q59H18 1/20 0.48
SRC P12931 1/20 0.41
RAF1 P04049 3/20 0.41
KCNH2 Q12809 2/20 0.40
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HDAC1 Q13547 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MMP1 P03956 1/20 0.38

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
SCHEMBL1844866 0.84 BRAF (0.44) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL5729986 0.73 MMP1 (0.53) MAPK14RAF1MMP1
SCHEMBL938311 0.70 CSNK2A1 (0.47) BRAFKDRAKR1C3AKR1C2
SCHEMBL3181311 0.69 RAF1 (0.70) BRAFKDRMAPK14TNNI3KSRC
SCHEMBL939446 0.69 MAPK10 (0.46) AKR1C3AKR1C2
SCHEMBL939166 0.68 BRAF (0.49) BRAFKDRMAPK14TNNI3KSRC
SCHEMBL939205 0.68 KDR (0.79) BRAFKDRMAPK14TNNI3KSRC
SCHEMBL13528809 0.68 SRC (0.57) BRAFKDRMAPK14TNNI3KSRC
SCHEMBL939171 0.68 CDK8 (0.70) BRAFKDRMAPK14TNNI3KSRC
SCHEMBL5568335 0.68 KDR (0.67) BRAFKDRMAPK14TNNI3KSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2020-05-19 US disclosed
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2018-10-18 US disclosed
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2016-01-21 US disclosed
US-8618141-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE LLC (US) 2013-12-31 US disclosed
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-11-15 US disclosed
US-8242147-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2012-08-14 US disclosed
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP disclosed
US-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 US disclosed
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity BAYER HEALTHCARE LLC 2008-09-18 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 (5 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-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR BRAF 487/4885KDR 3/4885MAPK14 445/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR BRAF 487/4885KDR 3/4885MAPK14 445/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR BRAF 487/4885KDR 3/4885MAPK14 445/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR BRAF 290/4885KDR 3/4885MAPK14 380/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR BRAF 487/4885KDR 3/4885MAPK14 445/4885

“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.