SCHEMBL3962310

SCHEMBL3962310

Clc1nnc(-c2ccncc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.59
HPGD P15428 8/20 0.59
ALDH1A1 P00352 8/20 0.59
HSD17B10 Q99714 4/20 0.59
POLB P06746 4/20 0.55
ALOX15 P16050 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
BLM P54132 4/20 0.50
MCL1 Q07820 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.47
GAA P10253 4/20 0.47

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
SCHEMBL10561406 0.84 KDM4E (0.71) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL8707903 0.82 KDM4E (0.67) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL974438 0.80 ALDH1A1 (0.52) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL11091755 0.77 KDM4E (0.50) KDM4EHPGDALDH1A1ALOX15KMT2A
SCHEMBL11088257 0.77 SMN1; SMN2 (0.60) KDM4EHPGDALDH1A1ALOX15KMT2A
SCHEMBL20214059 0.76 KDM4E (0.46) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL174599 0.76 KDM4E (0.64) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL4467860 0.76 KDM4E (0.61) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL4192890 0.75 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL23657806 0.75 BLM (0.66) KDM4EHPGDALDH1A1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
EP-2078721-B1 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2014-01-22 EP disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
EP-2078721-A2 Thieno-pyrimidime compounds having fungicidal activity Dow AgroSciences LLC (US) 2009-07-15 EP disclosed
US-7531482-B2 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2009-05-12 US disclosed
EP-1937691-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2008-07-02 EP disclosed
US-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2007-04-26 US disclosed
WO-2007046809-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2007-04-26 WO 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 (3 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-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS KDM4E 1522/4885HPGD 1200/4885ALDH1A1 539/4885
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 KDM4E 354/4885HPGD 392/4885ALDH1A1 72/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO KDM4E 917/4885HPGD 411/4885ALDH1A1 580/4885

“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.