SCHEMBL1967055

SCHEMBL1967055

FC(F)(F)c1cccc(-c2[c]cccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.44
KMO O15229 2/20 0.43
KCNA5 P22460 3/20 0.42
NOTUM Q6P988 2/20 0.42
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
NPY5R Q15761 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
MAOB P27338 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CTSS P25774 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL5544984 0.81 KIF11 (0.47) SCN2ANPY5RNPC1PDCD1CD274
SCHEMBL7497622 0.78 CYP17A1 (0.42) KMONOTUMIDO1
SCHEMBL7210508 0.75 IDO1 (0.53) SCN2AKMONOTUMIDO1NPY5R
SCHEMBL5056973 0.75 ACHE (0.42) KMONOTUMNPY5RNPC1RAB9A
SCHEMBL16719513 0.75 HSD17B1 (0.47)
SCHEMBL1968839 0.75 NOTUM (0.42) SCN2AKMOKCNA5NOTUMIDO1
SCHEMBL16458195 0.74 GRM2 (0.37) ALDH1A1NPC1RAB9A
SCHEMBL7972131 0.74 SCN2A (0.44) SCN2AKMONOTUMIDO1ALDH1A1
SCHEMBL1202054 0.73 NOTUM (0.37) NOTUMALDH1A1NPY5RNPC1RAB9A
SCHEMBL29678302 0.72 TSHR (0.58) SCN2ANOTUMIDO1ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
CN-106536507-B 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof 里格尔药品股份有限公司 2020-04-07 CN disclosed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
CN-106536507-A 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use 里格尔药品股份有限公司 2017-03-22 CN disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 WO disclosed
US-4833143-A PHENYL CYCLOBUTYL HETEROCYCLIC AMINES AND AMIDES THE BOOTS COMPANY PLC (GB) 1989-05-23 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 SCN2A 3355/4885KMO 1239/4885KCNA5 3289/4885

“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.