SCHEMBL4990970

SCHEMBL4990970

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc(N)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.69
RAF1 P04049 7/20 0.68
LCK P06239 4/20 0.67
KDR P35968 4/20 0.67
MAPK14 Q16539 4/20 0.67
JAK3 P52333 2/20 0.67
TEK Q02763 1/20 0.67
BRAF P15056 6/20 0.67
DDR2 Q16832 1/20 0.64
BTK Q06187 2/20 0.59
BLK P51451 1/20 0.59
KIT P10721 2/20 0.59
CSF1R P07333 1/20 0.59
MEN1 O00255 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
MAPK13 O15264 1/20 0.58

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
SCHEMBL4436627 0.91 MAPK14 (0.67) PTGS1RAF1LCKKDRMAPK14
SCHEMBL4444048 0.90 PTGS1 (0.72) PTGS1RAF1LCKKDRMAPK14
SCHEMBL4436932 0.89 RAF1 (0.55) PTGS1RAF1LCKKDRMAPK14
SCHEMBL13198165 0.85 RAF1 (0.64) RAF1LCKKDRMAPK14JAK3
SCHEMBL13220190 0.85 LCK (0.76) RAF1LCKKDRMAPK14JAK3
SCHEMBL4436924 0.84 RAF1 (0.69) PTGS1RAF1BRAFBTK
SCHEMBL4440208 0.83 RAF1 (0.65) RAF1LCKKDRMAPK14JAK3
SCHEMBL374471 0.83 PTGS1 (0.70) PTGS1LCKKDRMAPK14BRAF
SCHEMBL16037428 0.83 BRAF (0.67) RAF1LCKKDRMAPK14JAK3
SCHEMBL13198172 0.83 BRAF (0.74) RAF1LCKKDRMAPK14JAK3

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-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
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

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 816/4885RAF1 466/4885LCK 50/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 PTGS1 1475/4885RAF1 247/4885LCK 34/4885

“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.