SCHEMBL794361

SCHEMBL794361

Cc1n[c]nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FCGR1A P12314 1/20 0.39
HTT P42858 2/20 0.37
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.36
APEX1 P27695 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
AVPR1A P37288 1/20 0.35
CHRM2 P08172 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
SCHEMBL7220972 0.82 POLB (0.42) SMN1; SMN2POLBNPC1RAB9AHTT
SCHEMBL17923447 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2CYP2C19POLBNPC1
SCHEMBL795204 0.75 ALDH1A1 (0.39) MAPK1SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL3488539 0.67 HTT (0.41) MAPK1SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL500226 0.64
SCHEMBL28229609 0.64 NPC1 (0.46) MAPK1SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL10166462 0.64 MAPK1 (0.41) MAPK1SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL18136489 0.64 SMN1; SMN2 (0.46) MAPK1SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL2736476 0.64 LMNA (0.57) MAPK1SMN1; SMN2POLBHTTGAA
SCHEMBL1907352 0.62 NPC1 (0.47) MAPK1SMN1; SMN2CYP1A2CYP2C19POLB

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 MAPK1 1072/4885SMN1; SMN2 901/4885CYP1A2 79/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 MAPK1 1327/4885SMN1; SMN2 854/4885CYP1A2 90/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 MAPK1 1467/4885SMN1; SMN2 1356/4885CYP1A2 59/4885

“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.