SCHEMBL794787

SCHEMBL794787

[c]1nnc(Cc2ccccc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
CALM1 P0DP23 1/20 0.42
GAA P10253 2/20 0.42
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 2/20 0.41
DAO P14920 1/20 0.41
KMT2A Q03164 1/20 0.39
RNASEH1 O60930 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
HPGDS O60760 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
SCHEMBL7620083 0.69 TAAR1 (0.50) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL24317085 0.68 GAA (0.50) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL419212 0.67 GAA (0.48) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL14570954 0.65 TAAR1 (0.50) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL232998 0.65 NR1H2 (0.46) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL2161368 0.65 LTB4R (0.52) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL12877777 0.65 GAA (0.47) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL11320914 0.65 GAA (0.47) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL5635135 0.65 GAA (0.47) TAAR1CALM1GAANR1H2NR1H3
SCHEMBL2820256 0.64 CALM1 (0.73) CALM1ALDH1A1TSHR

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
US-10206401-B2 Pyridine compounds for controlling invertebrate pests II BASF SE (DE) 2019-02-19 US disclosed
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2018-05-03 US disclosed
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP disclosed
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2013-08-08 US disclosed
EP-2616458-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2013-07-24 EP disclosed
WO-2012034960-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2012-03-22 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 (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-10206401-B2 Pyridine compounds for controlling invertebrate pests II PRXL2A, NR2C2, SHROOM3 TAAR1 90/4885CALM1 1219/4885GAA 4834/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 TAAR1 99/4885CALM1 1529/4885GAA 4837/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 TAAR1 101/4885CALM1 2010/4885GAA 4843/4885

“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.