SCHEMBL174398

SCHEMBL174398

CNc1nnc(-c2cncc(F)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.44
PIM1 P11309 9/20 0.41
PIM3 Q86V86 9/20 0.41
PIM2 Q9P1W9 9/20 0.41
PIK3CG P48736 1/20 0.39

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
SCHEMBL175163 0.81 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL175032 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL173609 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL175042 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL171480 0.76 KDM4E (0.37) KDM4ESMN1; SMN2PIM1PIK3CGPOLQ
SCHEMBL290909 0.75 PIK3CG (0.35) NPC1RAB9ASMN1; SMN2PIM1PIK3CG
SCHEMBL13105216 0.75 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL290713 0.74 APP (0.38) PIM1PIK3CGCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL17629274 0.73 APP (0.37) PIM1PIK3CGCYP1A2CYP2C19
SCHEMBL18569239 0.72 APP (0.36) PIM1PIK3CGCYP1A2CYP2C19

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
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
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 1882/4885HPGD 1548/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 2511/4885ALDH1A1 1438/4885HPGD 2430/4885

“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.