SCHEMBL254836

SCHEMBL254836

Cc1ccc(C2CNC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
TNKS O95271 1/20 0.36

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
SCHEMBL2636404 0.85 HTR3A (0.51)
SCHEMBL18291382 0.84 CYP2D6 (0.44)
SCHEMBL20037855 0.83 CYP2D6 (0.50)
SCHEMBL1610503 0.81 TNKS (0.48) CHRNB2CHRNA4CHRNB4CHRNA3TNKS
SCHEMBL12975623 0.81 HTR2C (0.47)
SCHEMBL18724688 0.79 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18929477 0.78 KDM4E (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12093737 0.78 KDM4E (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL11962323 0.76 SMN1; SMN2 (0.54) CHRNA7TNKS
SCHEMBL27284020 0.76 SMN1; SMN2 (0.54) CHRNA7TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
EP-2640722-B1 PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS HOFFMANN LA ROCHE (CH) 2015-11-04 EP disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 US disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 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-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 CHRNB2 348/4885CHRNA4 135/4885CHRNB4 263/4885
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 CHRNB2 3006/4885CHRNA4 3141/4885CHRNB4 2945/4885

“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.