SCHEMBL794740

SCHEMBL794740

CCc1n[c]n(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.33
SHMT2 P34897 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
NR4A3 Q92570 1/20 0.32
CHRNA7 P36544 1/20 0.32
MEN1 O00255 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
SCHEMBL11592720 0.82 CNR1 (0.43) SMN1; SMN2TP53MAPTATMUSP2
SCHEMBL795493 0.75 MAPK1 (0.36) LMNATSHRADORA1ALDH1A1MAPK1
SCHEMBL8629138 0.71 HPGD (0.35) TSHRALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL11995842 0.66 LMNA (0.63) LMNATSHRADORA1ALDH1A1MAPK1
SCHEMBL4407303 0.64 HPGD (0.57) LMNATSHRADORA1ALDH1A1NPC1
SCHEMBL13954314 0.64 SMN1; SMN2 (0.47) LMNATSHRADORA1ALDH1A1L3MBTL1
SCHEMBL795459 0.63 ALDH1A1 (0.37) TSHRALDH1A1MAPK1L3MBTL1SHMT2
SCHEMBL9790422 0.62 LMNA (0.55) LMNATSHRADORA1ALDH1A1MAPK1
SCHEMBL29483355 0.61 KDM4E (0.54) LMNATSHRADORA1ALDH1A1MAPK1
SCHEMBL795204 0.59 ALDH1A1 (0.39) LMNATSHRALDH1A1MAPK1L3MBTL1

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 LMNA 3272/4885TSHR 2079/4885ADORA1 224/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 LMNA 3082/4885TSHR 2211/4885ADORA1 265/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 LMNA 3340/4885TSHR 1521/4885ADORA1 171/4885

“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.