SCHEMBL4444048

SCHEMBL4444048

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(N)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.72
LCK P06239 5/20 0.68
KDR P35968 5/20 0.68
MAPK14 Q16539 5/20 0.68
JAK3 P52333 3/20 0.68
TEK Q02763 2/20 0.68
DDR2 Q16832 1/20 0.65
RAF1 P04049 5/20 0.63
BRAF P15056 5/20 0.62
BTK Q06187 2/20 0.62
KIT P10721 2/20 0.61
MAPK13 O15264 1/20 0.61
LYN P07948 1/20 0.61
PDGFRA P16234 1/20 0.61
MAPK12 P53778 1/20 0.61
EPHB4 P54760 1/20 0.61
EPHA4 P54764 1/20 0.61
MAPK11 Q15759 1/20 0.61
CSF1R P07333 1/20 0.60
MEN1 O00255 1/20 0.60

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
SCHEMBL4435452 0.91 MAPK14 (0.68) PTGS1LCKKDRMAPK14JAK3
SCHEMBL4990970 0.90 PTGS1 (0.69) PTGS1LCKKDRMAPK14JAK3
SCHEMBL13220190 0.86 LCK (0.76) LCKKDRMAPK14JAK3TEK
SCHEMBL5000446 0.85 RAF1 (0.61) LCKKDRMAPK14JAK3TEK
SCHEMBL3454009 0.84 PTGS1 (1.00) PTGS1LCKBTKMEN1HTT
SCHEMBL374471 0.83 PTGS1 (0.70) PTGS1LCKKDRMAPK14DDR2
SCHEMBL16037428 0.83 BRAF (0.67) LCKKDRMAPK14JAK3TEK
SCHEMBL13198172 0.83 BRAF (0.74) LCKKDRMAPK14JAK3TEK
SCHEMBL13198189 0.83 KDR (0.77) LCKKDRMAPK14JAK3TEK
Hydrochloric Acid SCHEMBL5004557 0.82 PTGS1 (0.68) PTGS1LCKKDRMAPK14DDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US disclosed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US disclosed
EP-2121692-B1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2013-04-10 EP disclosed
EP-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP disclosed
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders INCYTE CORPORATION 2008-08-07 US disclosed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 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 (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-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders JAK3, JAK1, JAK2 PTGS1 816/4885LCK 50/4885KDR 1661/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 PTGS1 1475/4885LCK 34/4885KDR 710/4885

“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.