SCHEMBL4446258

SCHEMBL4446258

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(-c2cccc(Nc3ncncc3I)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.57
KIT P10721 4/20 0.50
MAPK14 Q16539 4/20 0.50
SRC P12931 3/20 0.50
SYK P43405 1/20 0.49
DDR2 Q16832 2/20 0.49
KDR P35968 4/20 0.48
CSF1R P07333 2/20 0.48
PDGFRA P16234 1/20 0.48
BTK Q06187 2/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
DDR1 Q08345 1/20 0.46
BRAF P15056 3/20 0.46
MAPT P10636 1/20 0.46
TEK Q02763 3/20 0.46
RAF1 P04049 1/20 0.46
CTSC P53634 1/20 0.46
JAK3 P52333 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4439915 0.84 BRAF (0.58) LCKKITMAPK14SRCDDR2
SCHEMBL4436387 0.83 MAPK14 (0.59) LCKKITMAPK14SRCDDR2
SCHEMBL4445721 0.82 RAF1 (0.59) BRAFRAF1
SCHEMBL13349432 0.79 LCK (0.76) LCKKITMAPK14DDR2KDR
SCHEMBL5002647 0.79 LCK (0.67) LCKMAPK14DDR2KDRBTK
SCHEMBL4438210 0.78 MAPK14 (0.56) LCKKITMAPK14SRCDDR2
SCHEMBL2306827 0.77 LCK (0.61) LCKKITMAPK14SRCDDR2
SCHEMBL4438459 0.77 PIK3CA (0.48) LCKKITMAPK14SRCDDR2
SCHEMBL4439947 0.77 BRAF (0.60) LCKKITMAPK14SRCDDR2
SCHEMBL4442833 0.76 RAF1 (0.49) BRAFRAF1

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 LCK 50/4885KIT 1223/4885MAPK14 54/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 LCK 34/4885KIT 1153/4885MAPK14 80/4885

“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.