SCHEMBL3973147

SCHEMBL3973147

NCc1nnc(-c2cn3ccnc3c(Cl)c2Nc2ccc(Br)cc2F)o1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.35
KDR P35968 1/20 0.32
CNR2 P34972 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL3974871 0.93 MAP2K1 (0.36) MAP2K1CNR2HDAC1HDAC6
SCHEMBL3972766 0.88 MAP2K1 (0.35) MAP2K1HDAC1HDAC6
SCHEMBL3976169 0.86 MAP2K1 (0.36) MAP2K1HDAC1HDAC6
SCHEMBL5393108 0.80 MAP2K1 (0.37) MAP2K1
SCHEMBL5404404 0.79 MAP2K1 (0.36) MAP2K1
SCHEMBL14499764 0.79 MAP2K1 (0.34) MAP2K1KDR
SCHEMBL5406374 0.78 MAP2K1 (0.36) MAP2K1
SCHEMBL5403319 0.78 MAP2K1 (0.33) MAP2K1
SCHEMBL3974682 0.75 MAP2K1 (0.53) MAP2K1HDAC1HDAC6
SCHEMBL3972045 0.74 MAP2K1 (0.50) MAP2K1

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 MAP2K1 92/4885KDR 820/4885CNR2 841/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 MAP2K1 4674/4885KDR 4774/4885CNR2 668/4885

“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.