SCHEMBL173422

SCHEMBL173422

CCNc1nnc(-c2cccnc2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 4/20 0.67
KMT2A Q03164 2/20 0.67
HPGD P15428 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP1A2 P05177 1/20 0.67
RAB9A P51151 2/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HSD17B10 Q99714 3/20 0.48
MAPT P10636 2/20 0.47
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2B6 P20813 1/20 0.46

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
SCHEMBL174140 0.82 RAB9A (0.65) KDM4EALDH1A1KMT2AHPGDCYP2C9
SCHEMBL255578 0.80 KMT2A (0.55) KDM4EALDH1A1KMT2AHPGDCYP2C9
SCHEMBL1424931 0.79 KDM4E (0.75) KDM4EALDH1A1KMT2AHPGDCYP2C9
SCHEMBL12396056 0.78 KDM4E (0.55) KDM4EALDH1A1KMT2ACYP2C9RAB9A
SCHEMBL12369732 0.78 KDM4E (0.58) KDM4EALDH1A1KMT2AHPGDCYP2C9
SCHEMBL32674469 0.77 CYP2A6 (0.49) KDM4EALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL16807422 0.77 CYP2A6 (0.49) KDM4EALDH1A1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL30994438 0.76 CYP2A6 (0.48) KDM4EALDH1A1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL29282727 0.76 CYP2A6 (0.48) KDM4EALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL255828 0.76 ALDH1A1 (0.64) KDM4EALDH1A1KMT2AHPGDCYP2C9

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
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-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

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 KDM4E 2988/4885ALDH1A1 1882/4885KMT2A 3522/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 2511/4885ALDH1A1 1438/4885KMT2A 3773/4885

“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.