SCHEMBL3979555

SCHEMBL3979555

OCCNc1nnc(-c2cn3ccnc3c(F)c2Nc2ccc(Br)cc2F)o1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAP2K1 Q02750 18/20 0.35
ABCB11 O95342 1/20 0.33
NQO2 P16083 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT1 P17948 1/20 0.31

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
SCHEMBL14499764 0.93 MAP2K1 (0.34) KDRCYP3A4MAP2K1ABCB11NQO2
SCHEMBL3973256 0.91 MAP2K1 (0.34) KDRCYP3A4MAP2K1ABCB11NQO2
SCHEMBL5404404 0.83 MAP2K1 (0.36) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL391126 0.81 MAP2K1 (0.55) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL5403319 0.80 MAP2K1 (0.33) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL392179 0.77 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL3974741 0.76 MAP2K1 (0.39) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL2024339 0.76 GAA (0.36) KDRCYP3A4MAP2K1MAP2K2FLT1
SCHEMBL3974871 0.76 MAP2K1 (0.36) MAP2K1
SCHEMBL5406374 0.75 MAP2K1 (0.36) MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US claimed
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 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-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KDR 820/4885CYP3A4 1199/4885MAP2K1 92/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 KDR 4774/4885CYP3A4 3264/4885MAP2K1 4674/4885

“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.