SCHEMBL4549484

SCHEMBL4549484

Nc1ccc(-n2cnc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA2A P29274 3/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
RAB9A P51151 6/20 0.39
NPC1 O15118 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
GLA P06280 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
SCHEMBL6758198 0.93 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL2396469 0.87 CYP11B1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL458419 0.87 NPC1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3753691 0.85 MAPT (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6758439 0.83 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16089351 0.83 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17589682 0.83 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22142454 0.83 CYP2A6 (0.46) MEN1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL14576537 0.80 KIF11 (0.51)
SCHEMBL3760961 0.79 GRM5 (0.56) MAPTTDP1NPC1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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 (5 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP MEN1 4826/4885KMT2A 2528/4885ALDH1A1 2110/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MEN1 3349/4885KMT2A 1970/4885ALDH1A1 2560/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MEN1 3349/4885KMT2A 1970/4885ALDH1A1 2560/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC MEN1 2972/4885KMT2A 390/4885ALDH1A1 2867/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MEN1 3349/4885KMT2A 1970/4885ALDH1A1 2560/4885

“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.