SCHEMBL4434874

SCHEMBL4434874

Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1I

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.65
KCNQ2 O43526 2/20 0.65
KCNE1 P15382 2/20 0.65
KCNQ1 P51787 2/20 0.65
KCNQ5 Q9NR82 1/20 0.65
MEN1 O00255 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
KCNK3 O14649 2/20 0.59
KCNK9 Q9NPC2 1/20 0.59
P2RX1 P51575 1/20 0.59
LMNA P02545 1/20 0.59
PTGS1 P23219 2/20 0.58
BRAF P15056 4/20 0.58
RAF1 P04049 2/20 0.58
CSF1R P07333 3/20 0.58
BTK Q06187 3/20 0.58
KIT P10721 2/20 0.58
LCK P06239 2/20 0.58

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
SCHEMBL24275085 0.86 KCNQ3 (0.65) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL16036513 0.86 KCNQ3 (0.65) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL21877180 0.85 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL26075509 0.85 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL25344781 0.82 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL4436924 0.82 RAF1 (0.69) PTGS1BRAFRAF1BTK
SCHEMBL2883773 0.81 MEN1 (0.68) MEN1HTTRAB9AKMT2AKCNK3
SCHEMBL3942796 0.81 GAA (0.63) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL4445721 0.80 RAF1 (0.59) BRAFRAF1
SCHEMBL23482407 0.79 RAF1 (0.67) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5

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 KCNQ3 2899/4885KCNQ2 2892/4885KCNE1 2172/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 KCNQ3 3242/4885KCNQ2 3208/4885KCNE1 3074/4885

“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.