SCHEMBL4442997

SCHEMBL4442997

CSc1ncc(I)c(Nc2cccc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.56
MAPK14 Q16539 6/20 0.56
KDR P35968 6/20 0.56
JAK3 P52333 4/20 0.56
TEK Q02763 3/20 0.56
DDR2 Q16832 3/20 0.55
ABL1 P00519 2/20 0.54
RAF1 P04049 4/20 0.52
CSF1R P07333 1/20 0.51
KIT P10721 1/20 0.51
BRAF P15056 4/20 0.51
BTK Q06187 3/20 0.51
SYK P43405 1/20 0.51
BLK P51451 1/20 0.50
SRC P12931 1/20 0.49
DDR1 Q08345 1/20 0.49
BMX P51813 2/20 0.49
PDGFRB P09619 1/20 0.49

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
SCHEMBL5000130 0.89 LCK (0.57) LCKMAPK14KDRJAK3TEK
SCHEMBL4439915 0.85 BRAF (0.58) LCKMAPK14KDRJAK3TEK
SCHEMBL4439947 0.79 BRAF (0.60) LCKMAPK14KDRJAK3TEK
SCHEMBL4997467 0.78 DDR2 (0.64) LCKMAPK14KDRJAK3TEK
SCHEMBL4438459 0.77 PIK3CA (0.48) LCKMAPK14KDRJAK3TEK
SCHEMBL4445721 0.76 RAF1 (0.59) RAF1BRAF
SCHEMBL13220190 0.76 LCK (0.76) LCKMAPK14KDRJAK3TEK
SCHEMBL4990970 0.76 PTGS1 (0.69) LCKMAPK14KDRJAK3TEK
SCHEMBL4436387 0.75 MAPK14 (0.59) LCKMAPK14KDRJAK3TEK
SCHEMBL5453326 0.74 CSF1R (0.69) LCKMAPK14KDRDDR2ABL1

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 50/4885MAPK14 54/4885KDR 1661/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 LCK 34/4885MAPK14 80/4885KDR 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.