SCHEMBL796343

SCHEMBL796343

CCc1nn[c]n1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 1/20 0.34
SHMT2 P34897 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NR4A3 Q92570 1/20 0.32
POLB P06746 1/20 0.32
CHRNA7 P36544 1/20 0.32
VCP P55072 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8625716 0.86 HCAR1 (0.38) ALDH1A1MAPTHPGDSHMT2MAPK1
SCHEMBL8625611 0.79 HTR1A (0.37) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL795390 0.75 AVPR1A (0.39) ALDH1A1MAPTHPGDNPC1TSHR
SCHEMBL8628888 0.74 MAPT (0.41) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL8629698 0.71 GAA (0.34) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL8633146 0.71 KDM4E (0.35) ALDH1A1MAPTHPGDNPC1TSHR
SCHEMBL8628934 0.64 HSD17B10 (0.44) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL8633114 0.64
SCHEMBL6481043 0.64 MAPK1 (0.53) ALDH1A1MAPTHPGDNPC1TSHR
SCHEMBL13180315 0.64 AVPR1A (0.53) ALDH1A1TSHRMAPK1MEN1KMT2A

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 ALDH1A1 1345/4885MAPT 817/4885HPGD 2559/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 ALDH1A1 1331/4885MAPT 902/4885HPGD 2415/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 ALDH1A1 1480/4885MAPT 1342/4885HPGD 2129/4885

“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.