SCHEMBL2943447

SCHEMBL2943447

O/N=C(\c1ccncc1)c1cc(F)c(Br)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MGLL Q99685 2/20 0.35
LTA4H P09960 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.31
MAPK7 Q13164 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2943450 1.00 KMT2A (0.36) KMT2AMGLLLTA4HLMNAPOLB
SCHEMBL8802399 0.81 CES2 (0.43) KMT2AMGLLLTA4HLMNAPOLB
SCHEMBL2946859 0.79 MTOR (0.40) KMT2ALMNAPOLBHTTSMN1; SMN2
SCHEMBL2946856 0.79 MTOR (0.40) KMT2ALMNAPOLBHTTSMN1; SMN2
SCHEMBL2944264 0.78 LTA4H (0.49) KMT2ALTA4HLMNAMAPK7NPC1
SCHEMBL2947698 0.78 LTA4H (0.33) LTA4HLMNACYP17A1CYP3A4CYP19A1
SCHEMBL5708704 0.75 KMT2A (0.36) KMT2APOLBMAPK7SMN1; SMN2
SCHEMBL13234361 0.73 RAB9A (0.45) KMT2APOLBHTTSMN1; SMN2CYP17A1
SCHEMBL15897828 0.67 KDM1A (0.35) NPC1RAB9A
SCHEMBL30204833 0.67 ESR1 (0.42) KMT2AMGLLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750026-B2 Fused heteroaryl derivatives and their use as p38 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
EP-1709028-B1 FUSED HETEROARYL DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-05 EP disclosed
US-20070054942-A1 Fused heteroaryl derivatives and their use as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-03-08 US disclosed
EP-1709028-A1 FUSED HETEROARYL DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005073217-A1 FUSED HETEROARYL DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 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 (1 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-20070054942-A1 Fused heteroaryl derivatives and their use as p38 kinase inhibitors MAPK1, MAPK7, MAPKAPK2 KMT2A 4185/4885MGLL 4050/4885LTA4H 2619/4885

“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.