SCHEMBL4438157

SCHEMBL4438157

COc1ccc(C(=O)Nc2ccc(C)c(-c3ccc4[nH]c5ncncc5c4c3)c2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.48
RAF1 P04049 2/20 0.48
DDR2 Q16832 3/20 0.45
ABL1 P00519 3/20 0.45
KCNH2 Q12809 1/20 0.44
LCK P06239 2/20 0.43
KDR P35968 2/20 0.43
JAK3 P52333 2/20 0.43
MAPK14 Q16539 2/20 0.43
TEK Q02763 1/20 0.43
EIF2AK3 Q9NZJ5 1/20 0.43
EIF2AK4 Q9P2K8 1/20 0.43

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
SCHEMBL2307710 0.94 BRAF (0.48) BRAFRAF1DDR2ABL1KCNH2
SCHEMBL2302432 0.90 KCNQ3 (0.46) BRAFRAF1DDR2ABL1LCK
SCHEMBL2306981 0.84 DDR2 (0.63) BRAFRAF1DDR2ABL1LCK
SCHEMBL2307333 0.83 DDR2 (0.47) DDR2ABL1LCKKDRJAK3
SCHEMBL2305579 0.82 DDR2 (0.63) BRAFRAF1DDR2ABL1LCK
SCHEMBL2307524 0.82 DDR2 (0.49) BRAFRAF1DDR2ABL1LCK
SCHEMBL2301842 0.82 DDR2 (0.46) BRAFDDR2ABL1LCKKDR
SCHEMBL2307895 0.81 ABL1 (0.50) BRAFDDR2ABL1LCKKDR
SCHEMBL2302812 0.78 DDR2 (0.54) BRAFRAF1DDR2ABL1LCK
SCHEMBL5501694 0.78 LCK (0.71) BRAFRAF1DDR2LCKKDR

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 15 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-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
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-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 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
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 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
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
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 BRAF 59/4885RAF1 466/4885DDR2 833/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 BRAF 31/4885RAF1 247/4885DDR2 735/4885

“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.