SCHEMBL794867

SCHEMBL794867

Cc1[c]nnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
MAPK1 P28482 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FCGR1A P12314 1/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL28267806 0.83 MAPT (0.41) HTTSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL28266312 0.76 ALDH1A1 (0.46) HTTMAPK1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7037862 0.75 ALDH1A1 (0.40) HTTMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL28267817 0.75 CYP1A2 (0.47) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL28266397 0.73 PIM1 (0.44)
SCHEMBL28266322 0.72 L3MBTL1 (0.44) MAPK1ALDH1A1L3MBTL1POLBKDM4E
SCHEMBL7040507 0.71 NPSR1 (0.33) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17923448 0.67 ALDH1A1 (0.45) SMN1; SMN2CYP1A2CYP2C19NPC1RAB9A
SCHEMBL1907352 0.67 NPC1 (0.47) MAPK1SMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL316519 0.67 RAB9A (0.41) HTTMAPK1SMN1; SMN2CYP1A2CYP2C19

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 8 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
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP 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 (4 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 HTT 3520/4885MAPK1 1072/4885SMN1; SMN2 901/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 HTT 3529/4885MAPK1 1327/4885SMN1; SMN2 854/4885
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 HTT 1382/4885MAPK1 1724/4885SMN1; SMN2 4594/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 HTT 3838/4885MAPK1 1467/4885SMN1; SMN2 1356/4885

“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.