SCHEMBL5498213

SCHEMBL5498213

Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1I

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.61
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNE1 P15382 2/20 0.54
KCNQ1 P51787 2/20 0.54
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GRM4 Q14833 1/20 0.51
LMNA P02545 3/20 0.50
TP53 P04637 1/20 0.50
AR P10275 1/20 0.49
MTOR P42345 1/20 0.48
XBP1 P17861 1/20 0.48
TEK Q02763 1/20 0.48
BRAF P15056 5/20 0.47

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
SCHEMBL29561783 0.91 KIT (0.65) KITMAPTNPSR1HTTMEN1
SCHEMBL21611712 0.91 KIT (0.65) KITMAPTNPSR1HTTMEN1
SCHEMBL17413359 0.88 KCNQ3 (0.60) KITKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4140340 0.86 KIT (0.60) KITMAPTNPSR1HTTMEN1
SCHEMBL21611714 0.86 KIT (0.59) KITMAPTNPSR1HTTMEN1
SCHEMBL17784128 0.85 NPC1 (0.57) KITKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL18298084 0.85 KIT (0.71) KITMAPTNPSR1HTTMEN1
SCHEMBL16241636 0.84 KIT (0.58) KITMAPTNPSR1HTTMEN1
SCHEMBL21416829 0.83 KIT (0.57) KITMAPTNPSR1HTTMEN1
SCHEMBL13202458 0.83 KIT (0.57) KITMAPTNPSR1HTTMEN1

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 KIT 412/4885KCNQ3 2448/4885KCNQ2 3019/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 KIT 325/4885KCNQ3 1983/4885KCNQ2 2334/4885

“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.