SCHEMBL174140

SCHEMBL174140

CNc1nnc(-c2cccnc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
NPC1 O15118 5/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 6/20 0.64
HSD17B10 Q99714 4/20 0.64
HPGD P15428 2/20 0.64
POLB P06746 1/20 0.64
ALOX15 P16050 1/20 0.64
PIM1 P11309 1/20 0.61
PIM3 Q86V86 1/20 0.61
PIM2 Q9P1W9 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
CYP3A4 P08684 3/20 0.54
CYP2A6 P11509 2/20 0.54
CYP2E1 P05181 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54

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
SCHEMBL1424931 0.83 KDM4E (0.75) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL173422 0.82 KDM4E (0.67) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL9209215 0.80 KDM4E (0.69) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL174170 0.79 MEN1 (1.00) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL212959 0.79 RAB9A (0.60) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL10638752 0.79 KDM4E (0.64) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL163040 0.78 KDM4E (1.00) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL175042 0.78 KDM4E (0.61) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL12696222 0.78 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL21431433 0.77 KDM4E (0.66) RAB9ANPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103188936-B Insecticidal composition DOW AGROSCIENCES LLC (US) 2016-04-20 CN disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-8604211-B2 Pesticidal compositions Dow AroSciecnes, LLC. (US) 2013-12-10 US disclosed
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
CN-103188936-A Insecticidal composition DOW AGROSCIENCES LLC 2013-07-03 CN disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 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 (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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS RAB9A 314/4885NPC1 3750/4885MEN1 3463/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS RAB9A 296/4885NPC1 4656/4885MEN1 2640/4885

“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.