SCHEMBL4997467

SCHEMBL4997467

CSc1ncc2c(n1)[nH]c1cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 9/20 0.64
KDR P35968 5/20 0.58
MAPK14 Q16539 5/20 0.58
LCK P06239 4/20 0.58
JAK3 P52333 4/20 0.58
TEK Q02763 3/20 0.58
ABL1 P00519 1/20 0.54
BRAF P15056 6/20 0.51
FGFR1 P11362 3/20 0.51
MAPK13 O15264 1/20 0.51
LYN P07948 1/20 0.51
KIT P10721 1/20 0.51
PDGFRA P16234 1/20 0.51
MAPK12 P53778 1/20 0.51
EPHB4 P54760 1/20 0.51
EPHA4 P54764 1/20 0.51
MAPK11 Q15759 1/20 0.51
RAF1 P04049 5/20 0.50

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
SCHEMBL2302652 0.89 KDR (0.71) DDR2KDRMAPK14LCKJAK3
SCHEMBL4432689 0.87 DDR2 (0.63) DDR2KDRMAPK14LCKJAK3
Trifluoroacetic Acid SCHEMBL4997345 0.86 KDR (0.67) DDR2KDRMAPK14LCKJAK3
SCHEMBL2304084 0.85 DDR2 (0.65) DDR2KDRMAPK14LCKJAK3
Trifluoroacetic Acid SCHEMBL4438472 0.83 DDR2 (0.62) DDR2KDRMAPK14LCKJAK3
SCHEMBL5000327 0.83 DDR2 (0.45) DDR2KDRMAPK14LCKJAK3
SCHEMBL2306981 0.79 DDR2 (0.63) DDR2KDRMAPK14LCKJAK3
SCHEMBL2304975 0.79 DDR2 (0.65) DDR2KDRMAPK14LCKJAK3
SCHEMBL13198184 0.78 DDR2 (0.71) DDR2KDRMAPK14LCKJAK3
SCHEMBL13198179 0.78 DDR2 (1.00) DDR2KDRMAPK14LCKJAK3

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 DDR2 833/4885KDR 1661/4885MAPK14 54/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 DDR2 735/4885KDR 710/4885MAPK14 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.