SCHEMBL4438459

SCHEMBL4438459

Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1-c1cccc(Nc2ncncc2I)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.48
BRAF P15056 3/20 0.47
LCK P06239 8/20 0.47
MAPK14 Q16539 6/20 0.47
KDR P35968 5/20 0.47
JAK3 P52333 3/20 0.47
TEK Q02763 3/20 0.47
DDR2 Q16832 2/20 0.46
ABL1 P00519 3/20 0.46
BTK Q06187 3/20 0.46
KIT P10721 5/20 0.45
SRC P12931 3/20 0.45
RAF1 P04049 3/20 0.45
BCR P11274 1/20 0.44
DDR1 Q08345 1/20 0.44
CSF1R P07333 1/20 0.44

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
SCHEMBL4442833 0.91 RAF1 (0.49) PIK3CABRAFRAF1
SCHEMBL4439915 0.91 BRAF (0.58) BRAFLCKMAPK14KDRJAK3
SCHEMBL4439947 0.84 BRAF (0.60) BRAFLCKMAPK14KDRJAK3
SCHEMBL4445721 0.83 RAF1 (0.59) BRAFRAF1
SCHEMBL4436387 0.82 MAPK14 (0.59) BRAFLCKMAPK14KDRJAK3
SCHEMBL4436932 0.79 RAF1 (0.55) BRAFLCKMAPK14KDRJAK3
SCHEMBL5000130 0.78 LCK (0.57) BRAFLCKMAPK14KDRJAK3
SCHEMBL4442997 0.77 LCK (0.56) BRAFLCKMAPK14KDRJAK3
SCHEMBL4446258 0.77 LCK (0.57) BRAFLCKMAPK14KDRJAK3
SCHEMBL4437547 0.76 CYP1A2 (0.46)

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 PIK3CA 365/4885BRAF 59/4885LCK 50/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 PIK3CA 194/4885BRAF 31/4885LCK 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.