SCHEMBL15401858

SCHEMBL15401858

CNC(=O)c1ccn(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.49
LMNA P02545 2/20 0.48
USP30 Q70CQ3 1/20 0.47
MALT1 Q9UDY8 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ELOVL1 Q9BW60 6/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
KCNH2 Q12809 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL17239569 0.83 MAPT (0.54) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL13860920 0.83 GAA (0.54) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL4473648 0.81 MAPT (0.58) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL27790040 0.80 CYP2C9 (0.56) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL1063920 0.80 CYP2C9 (0.61) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL13832650 0.80 GAA (0.66) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL30719066 0.80 USP30 (0.53) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL17239633 0.78 USP30 (0.52) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL725497 0.77 CYP2C9 (0.53) MAPTTSHRHTTHSD17B10L3MBTL1
SCHEMBL27360401 0.77 CYP2C9 (0.53) MAPTTSHRHTTHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 US disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 US disclosed
EP-3140298-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Inc. (US) 2017-03-15 EP disclosed
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed
WO-2015170218-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER INC. (US) 2015-11-12 WO disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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 (3 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-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE CFTR, CHRM3, P2RY1 MAPT 4854/4885TSHR 380/4885HTT 4658/4885
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A MAPT 4100/4885TSHR 1037/4885HTT 2110/4885
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS TPM3, MUSK, TPM4 MAPT 330/4885TSHR 611/4885HTT 2370/4885

“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.