SCHEMBL794659

SCHEMBL794659

CCn1[c]nnc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 2/20 0.39
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NLRP3 Q96P20 1/20 0.37
NR1H3 Q13133 2/20 0.36
NR1H2 P55055 1/20 0.36
AVPR1A P37288 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
SCHEMBL8626448 0.77 L3MBTL1 (0.45) TSHRGAAKMT2AALDH1A1KDM4E
SCHEMBL4391055 0.75 KMT2A (0.43) TSHRKMT2AHSD11B1DRD2ALDH1A1
SCHEMBL8625712 0.73 ALDH1A1 (0.46) TSHRGAAKMT2AALDH1A1KDM4E
SCHEMBL11226258 0.67 KDM4E (0.38) TSHRGAAKMT2AALDH1A1KDM4E
SCHEMBL8848068 0.66 LMNA (0.41) TSHRKMT2AALDH1A1KDM4E
SCHEMBL8629508 0.66 KMT2A (0.38) TSHRGAAKMT2AALDH1A1KDM4E
SCHEMBL14077056 0.65 TSHR (0.59) TSHRGAAKMT2AHSD11B1ALDH1A1
SCHEMBL1154434 0.64 ALDH1A1 (0.62) TSHRKMT2AHSD11B1ALDH1A1HSD17B10
SCHEMBL12124932 0.64 L3MBTL1 (0.53) TSHRKMT2AHSD11B1DRD2ALDH1A1
SCHEMBL2988338 0.63 TSHR (0.56) TSHRGAAKMT2AHSD11B1DRD2

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 TSHR 2079/4885GAA 4834/4885KMT2A 814/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 TSHR 2211/4885GAA 4837/4885KMT2A 800/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 TSHR 1521/4885GAA 4843/4885KMT2A 699/4885

“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.