SCHEMBL16652179

SCHEMBL16652179

Nc1ccnn1-c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
CYP2A6 P11509 4/20 0.46
CYP11B2 P19099 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2E1 P05181 2/20 0.41
HTT P42858 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL14488281 0.80 POLB (0.59) POLBALDH1A1PKMCYP2A6CYP3A4
SCHEMBL433371 0.79 POLB (1.00) POLBALDH1A1PKMCYP3A4PI4KA
SCHEMBL30385755 0.79 HTT (0.44) POLBALDH1A1CYP2A6CYP11B2CYP3A4
SCHEMBL25417972 0.77 CYP2A6 (0.46) POLBALDH1A1CYP2A6CYP11B2CYP3A4
SCHEMBL2691172 0.77 CYP2A6 (0.49) ALDH1A1CYP2A6CYP11B2CYP3A4CYP2E1
SCHEMBL6086847 0.76 CYP11B2 (0.46) CYP2A6CYP11B2CYP3A4CYP2E1HTT
SCHEMBL1491136 0.75 POLB (0.69) POLBALDH1A1PKMCYP3A4MAPT
SCHEMBL17457925 0.74 CYP2A6 (0.47) CYP2A6CYP11B2CYP3A4CYP2E1HTT
SCHEMBL30235475 0.74 F7 (0.47) ALDH1A1CYP2A6CYP11B2CYP3A4HTT
SCHEMBL14955293 0.73 CA12 (0.51) ALDH1A1CYP2A6CYP11B2CYP3A4CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906029-A1 INHIBITORS OF MENIN-MLL INTERACTION Biomea Fusion, LLC (US) 2021-11-10 EP disclosed
WO-2020142559-A1 INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, LLC (US) 2020-07-09 WO disclosed
CN-105828610-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2019-07-19 CN disclosed
CN-105744838-B Heterocyclic compound as agricultural chemicals 拜耳作物科学股份公司 2017-12-08 CN disclosed
US-9523100-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-12-20 US disclosed
US-20160208281-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2016-07-21 US disclosed
US-9295260-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-03-29 US disclosed
US-20150111734-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 US disclosed
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN 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 (2 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-20160208281-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, PRDX1 POLB 4565/4885ALDH1A1 3417/4885PKM 895/4885
US-20150111734-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, CHRM2 POLB 4392/4885ALDH1A1 3453/4885PKM 1266/4885

“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.