SCHEMBL795204

SCHEMBL795204

CCc1n[c]nn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
NR4A3 Q92570 1/20 0.38
SHMT2 P34897 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL794361 0.75 MAPK1 (0.40) ALDH1A1MAPK1NPC1TSHRRAB9A
SCHEMBL17923447 0.69 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1NPC1RAB9APOLB
SCHEMBL156901 0.68 HTT (0.60) ALDH1A1L3MBTL1TSHRMAPTHPGD
SCHEMBL21863405 0.68 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1NPC1TSHR
SCHEMBL15728784 0.67 TSHR (0.45) ALDH1A1MAPK1L3MBTL1NPC1TSHR
SCHEMBL3784177 0.66 GAA (0.45) ALDH1A1MAPK1L3MBTL1NPC1TSHR
SCHEMBL21849224 0.63 GRN (0.42) ALDH1A1MAPK1L3MBTL1NPC1TSHR
SCHEMBL21893413 0.63 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1NPC1TSHR
SCHEMBL21893798 0.63 LMNA (0.43) ALDH1A1MAPK1L3MBTL1TSHRGAA
SCHEMBL1908196 0.63 NR4A3 (0.41) ALDH1A1MAPK1L3MBTL1NPC1TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
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-6605631-B1 Controlling fungi and pests; improved activity and plant tolerability BASF AKTIENGESELLSCHAFT (DE) 2003-08-12 US 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 1345/4885MAPK1 1072/4885L3MBTL1 2367/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 ALDH1A1 1331/4885MAPK1 1327/4885L3MBTL1 2339/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 ALDH1A1 1480/4885MAPK1 1467/4885L3MBTL1 2553/4885

“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.