SCHEMBL2304040

SCHEMBL2304040

O=C(Nc1ccc(F)c(-c2ccc3c(c2)[nH]c2ncncc23)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 5/20 0.65
LCK P06239 3/20 0.49
MAPK14 Q16539 3/20 0.49
KDR P35968 2/20 0.49
JAK3 P52333 2/20 0.49
TEK Q02763 1/20 0.49
BRAF P15056 2/20 0.48
KIT P10721 2/20 0.48
ABL1 P00519 1/20 0.48
SRC P12931 1/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNE1 P15382 2/20 0.46
KCNQ1 P51787 2/20 0.46
BTK Q06187 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
PTGS1 P23219 2/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL2304084 0.91 DDR2 (0.65) DDR2LCKMAPK14KDRJAK3
SCHEMBL2307402 0.91 DDR2 (0.65) DDR2LCKMAPK14KDRJAK3
SCHEMBL2307590 0.89 RAF1 (0.57) DDR2BRAF
SCHEMBL2305033 0.89 LCK (0.53) DDR2LCKMAPK14KDRTEK
Trifluoroacetic Acid SCHEMBL4438472 0.88 DDR2 (0.62) DDR2LCKMAPK14KDRJAK3
SCHEMBL2302007 0.87 LCK (0.58) DDR2LCKMAPK14KDRJAK3
SCHEMBL2306981 0.84 DDR2 (0.63) DDR2LCKMAPK14KDRJAK3
SCHEMBL2306827 0.84 LCK (0.61) DDR2LCKMAPK14KDRJAK3
SCHEMBL2304975 0.84 DDR2 (0.65) DDR2LCKMAPK14KDRJAK3
SCHEMBL2302812 0.83 DDR2 (0.54) DDR2LCKMAPK14KDRJAK3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US claimed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US claimed
EP-2121692-B1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2013-04-10 EP claimed
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 claimed
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 US disclosed
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2017-03-30 US disclosed
EP-3042655-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Holdings Corporation (US) 2016-07-13 EP disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
EP-2121692-B1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2013-04-10 EP disclosed
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 US disclosed
EP-2349260-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Corporation (US) 2011-08-03 EP disclosed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 US disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 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 (7 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-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 DDR2 767/4885LCK 300/4885MAPK14 112/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 DDR2 671/4885LCK 86/4885MAPK14 246/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 DDR2 3669/4885LCK 4657/4885MAPK14 4014/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 DDR2 671/4885LCK 86/4885MAPK14 246/4885
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 833/4885LCK 50/4885MAPK14 54/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 DDR2 671/4885LCK 86/4885MAPK14 246/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 DDR2 735/4885LCK 34/4885MAPK14 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.