SCHEMBL794238

SCHEMBL794238

Cn1[c]nc(Cc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CALM1 P0DP23 1/20 0.39
TDP2 O95551 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR6 P50406 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
LTB4R Q15722 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 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
SCHEMBL1009261 0.68 TSHR (0.45) TSHRCALM1TDP2KDM4CNR1H2
SCHEMBL4406015 0.68 CNR2 (0.50) TSHRCALM1ALDH1A1CNR2CNR1
SCHEMBL5461049 0.67 CALM1 (0.39) TSHRCALM1KDM4CALDH1A1L3MBTL1
SCHEMBL8649626 0.66 CALM1 (0.48) TSHRCALM1NR1H2NR1H3ALDH1A1
SCHEMBL31201754 0.66 TDP2 (0.51) TSHRCALM1TDP2KDM4CNR1H2
SCHEMBL2614741 0.65 CALM1 (0.61) TSHRCALM1ALDH1A1L3MBTL1NPC1
SCHEMBL15323022 0.65 CALM1 (0.61) TSHRCALM1ALDH1A1L3MBTL1NPC1
SCHEMBL14415474 0.64 TDP2 (0.50) TSHRCALM1TDP2KDM4CNR1H2
SCHEMBL4407827 0.63 CNR2 (0.56) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL11295802 0.63 TDP2 (0.49) TSHRTDP2KDM4CNR1H2NR1H3

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 2079/4885CALM1 1219/4885TDP2 1440/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 TSHR 2211/4885CALM1 1529/4885TDP2 1312/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 TSHR 1521/4885CALM1 2010/4885TDP2 2315/4885

“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.