SCHEMBL16787393

SCHEMBL16787393

Cc1cccc(-n2nccn2)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.38
HCRTR1 O43613 13/20 0.37
HCRTR2 O43614 13/20 0.37
RXRA P19793 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 1/20 0.34
CYP3A4 P08684 1/20 0.33
ACHE P22303 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL14850900 0.79 ADRB1 (0.44) HCAR1HCRTR1HCRTR2KCNH2
SCHEMBL4550926 0.79 FLT3 (0.44) ACHEFLT3GSK3B
SCHEMBL10262360 0.76 HCRTR1 (0.34) HCRTR1HCRTR2CYP3A4
SCHEMBL10109662 0.76 HCRTR1 (0.42) HCAR1HCRTR1HCRTR2RXRAGRIN1
SCHEMBL22051475 0.76 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL22040918 0.76 NOTUM (0.43) HCRTR1HCRTR2CYP3A4
SCHEMBL21375830 0.73 HCRTR1 (0.38) HCRTR1HCRTR2KCNH2CYP3A4
SCHEMBL19229967 0.73 HCRTR1 (0.36) HCRTR1HCRTR2KCNH2FLT3GSK3B
SCHEMBL14883241 0.73 HCRTR1 (0.34) HCRTR1HCRTR2KCNH2P2RX7CYP3A4
SCHEMBL14886142 0.72 ACHE (0.43) HCRTR1HCRTR2KCNH2CYP3A4ACHE

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
WO-2020112937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-06-04 WO disclosed
EP-2776430-B1 2- (1,2,3-TRIAZOL-2-YL) BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL) PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-16 EP disclosed
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 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-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCAR1 132/4885HCRTR1 2/4885HCRTR2 1/4885

“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.