SCHEMBL4436932

SCHEMBL4436932

Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1-c1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.55
LCK P06239 5/20 0.54
KDR P35968 4/20 0.54
MAPK14 Q16539 4/20 0.54
JAK3 P52333 3/20 0.54
TEK Q02763 2/20 0.54
BRAF P15056 5/20 0.54
PTGS1 P23219 4/20 0.53
DDR2 Q16832 1/20 0.52
BTK Q06187 4/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
BLK P51451 1/20 0.48
CSF1R P07333 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL4990970 0.89 PTGS1 (0.69) RAF1LCKKDRMAPK14JAK3
SCHEMBL4440267 0.84 RAF1 (0.53) RAF1LCKKDRMAPK14JAK3
SCHEMBL4436627 0.82 MAPK14 (0.67) RAF1LCKKDRMAPK14JAK3
SCHEMBL4421974 0.81 CSF1R (0.52) LCKKDRMAPK14TEKBRAF
SCHEMBL5498105 0.80 LCK (0.79) LCKKDRMAPK14JAK3TEK
SCHEMBL4438459 0.79 PIK3CA (0.48) RAF1LCKKDRMAPK14JAK3
SCHEMBL4444048 0.79 PTGS1 (0.72) RAF1LCKKDRMAPK14JAK3
SCHEMBL17413291 0.78 CSF1R (0.53) LCKKDRMAPK14TEKBRAF
SCHEMBL678377 0.77 PTGS1 (0.68) PTGS1CSF1R
SCHEMBL4421970 0.77 CSF1R (0.55) LCKKDRMAPK14TEKBRAF

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 RAF1 466/4885LCK 50/4885KDR 1661/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 RAF1 247/4885LCK 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.