SCHEMBL4678380

SCHEMBL4678380

N#CN=C(N)Nc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MAPK10 P53779 1/20 0.52
KCNH2 Q12809 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
IDO1 P14902 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
P2RX7 Q99572 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41

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
SCHEMBL4678378 1.00 TSHR (0.52) TSHRMAPK10KCNH2SIGMAR1IDO1
SCHEMBL15094190 0.83 MAPK10 (0.34) TSHRMAPK10KCNH2SIGMAR1KMT2A
SCHEMBL4678006 0.83 MAPK10 (0.34) TSHRMAPK10KCNH2SIGMAR1KMT2A
SCHEMBL4678012 0.83 MAPK10 (0.34) TSHRMAPK10KCNH2SIGMAR1KMT2A
SCHEMBL29560647 0.81 IDO1 (0.56) TSHRIDO1MEN1KMT2ARAB9A
SCHEMBL4682283 0.81 HTR3E (0.64) TSHRSIGMAR1IDO1MEN1KMT2A
SCHEMBL4682280 0.81 HTR3E (0.64) TSHRSIGMAR1IDO1MEN1KMT2A
SCHEMBL4679913 0.80 ALDH1A1 (0.57) IDO1MEN1KMT2ARAB9AHTT
SCHEMBL4679916 0.80 ALDH1A1 (0.57) IDO1MEN1KMT2ARAB9AHTT
SCHEMBL17238099 0.79 MEN1 (0.46) TSHRMAPK10KCNH2IDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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 (1 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 TSHR 3788/4885MAPK10 2730/4885KCNH2 7/4885

“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.