SCHEMBL2417697

SCHEMBL2417697

C#Cc1cccc(N)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAP2K1 Q02750 2/20 0.34
MAP2K2 P36507 1/20 0.34
GRM6 O15303 1/20 0.33
ALDH1A1 P00352 5/20 0.32
HSD17B10 Q99714 3/20 0.32
ADORA1 P30542 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
ADORA2A P29274 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 3/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL2202184 0.85 CYP3A4 (0.36) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1702636 0.85 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
Nitrogen SCHEMBL27862489 0.83 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
SCHEMBL1398115 0.79 ALDH1A1 (0.43) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
SCHEMBL13820189 0.75 CYP3A4 (0.32) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28351566 0.75 ALDH1A1 (0.41) ALDH1A1HSD17B10ADORA1MAPTHPGD
SCHEMBL20911599 0.75 DYRK1A (0.38) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL16959168 0.75 ALDH1A1 (0.32) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL164718 0.74 TSHR (0.48) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29555850 0.74 TSHR (0.48) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1

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-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 CN disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CYP3A4 3308/4885CYP1A2 4533/4885CYP2C9 4695/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 CYP3A4 3308/4885CYP1A2 4533/4885CYP2C9 4695/4885

“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.