SCHEMBL2947698

SCHEMBL2947698

N=C(c1ccncc1)c1cc(F)c(Br)cc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NPC1 O15118 1/20 0.31
GPR27 Q9NS67 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NAPRT Q6XQN6 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
SCHEMBL2944264 0.80 LTA4H (0.49) LTA4HLMNARAB9ANPC1GPR27
SCHEMBL14015825 0.80 LTA4H (0.33) LTA4HRAB9ACYP17A1CYP3A4CYP19A1
SCHEMBL2943450 0.78 KMT2A (0.36) LTA4HLMNARAB9ACYP17A1CYP3A4
SCHEMBL2943447 0.78 KMT2A (0.36) LTA4HLMNARAB9ACYP17A1CYP3A4
SCHEMBL2946856 0.70 MTOR (0.40) LMNARAB9ANPC1GPR27KDM4E
SCHEMBL2946859 0.70 MTOR (0.40) LMNARAB9ANPC1GPR27KDM4E
SCHEMBL12634676 0.69 DGAT1 (0.38) RAB9ANPC1GPR27
SCHEMBL15919054 0.69 KDM1A (0.37) RAB9ANPC1GPR27
SCHEMBL5961884 0.68 KDM4E (0.49) LMNARAB9ACYP17A1CYP3A4CYP19A1
SCHEMBL31390293 0.66 AKR1C3 (0.41) LMNACYP17A1CYP11B1

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-7750026-B2 Fused heteroaryl derivatives and their use as p38 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-7750026-B2 Fused heteroaryl derivatives and their use as p38 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
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
US-20070054942-A1 Fused heteroaryl derivatives and their use as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-03-08 US 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 LTA4H 2619/4885LMNA 2780/4885RAB9A 1067/4885

“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.