SCHEMBL5026243

SCHEMBL5026243

Clc1cc(Cl)nc(-c2cccs2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ADORA2A P29274 5/20 0.46
ADORA3 P0DMS8 4/20 0.46
RPS6KB2 Q9UBS0 3/20 0.46
ADORA1 P30542 4/20 0.43
ADORA2B P29275 1/20 0.42
PDE5A O76074 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9310588 0.94 NPC1 (0.45) KDM4EMAPTL3MBTL1MEN1HPGD
SCHEMBL9438481 0.90 ADORA2A (0.54) KDM4EMAPTL3MBTL1MEN1HPGD
SCHEMBL3088300 0.88 NPC1 (0.46) KDM4EMAPTL3MBTL1MEN1HPGD
SCHEMBL19148655 0.84 KDM4E (0.58) KDM4EMAPTL3MBTL1MEN1HPGD
SCHEMBL11021110 0.83 ADORA2A (0.51) KDM4EMAPTL3MBTL1MEN1HPGD
SCHEMBL11702923 0.83 ADORA2A (0.51) KDM4EMAPTL3MBTL1MEN1HPGD
SCHEMBL30104195 0.81 KDM4E (0.56) KDM4EMAPTL3MBTL1MEN1HPGD
SCHEMBL28960097 0.81 KDM4E (0.56) KDM4EMAPTL3MBTL1MEN1HPGD
SCHEMBL1560087 0.81 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1ADORA2A
SCHEMBL5017654 0.80 CYP19A1 (0.44) KDM4EMAPTL3MBTL1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0096657-A2 2-Phenyl-2-naphthyl and 2-heterocyclic pyrimidines as antidotes for protecting cultured plants before phytotoxic damages caused by herbicides CIBA-GEIGY AG (CH) 1983-12-21 EP claimed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
EP-1697351-A1 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma AG (CH) 2006-09-06 EP disclosed
WO-2005058883-A1 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-06-30 WO disclosed
US-5304647-A Addition of an organolithium reagent; dehydrogenation of addition product; two-phase conditions prevents hydrolysis GEORGIA STATE UNIVERSITY FOUNDATION, INC. (US) 1994-04-19 US disclosed
US-4963676-A INTERMEDIATES FOR NOVEL UNFUSED HETEROBICYCLIC COMPOUNDS WITH BIOLOGICAL ACTIVITY; ANTICANCER AGENTS GEORGIA STATE UNIVERSITY FOUNDATION, INC. (US) 1990-10-16 US disclosed
US-4929726-A ANTICARCINOGENIC AGENTS GEORGIA STATE UNIVERSITY FOUNDATION, INC. (US) 1990-05-29 US disclosed
WO-1989007599-A2 NOVEL DIAZINES AND THEIR METHOD OF PREPARATION GEORGIA STATE UNIVERSITY FOUNDATION, INC. (US) 1989-08-24 WO disclosed
EP-0096657-B1 2-PHENYL-2-NAPHTHYL AND 2-HETEROCYCLIC PYRIMIDINES AS ANTIDOTES FOR PROTECTING CULTURED PLANTS BEFORE PHYTOTOXIC DAMAGES CAUSED BY HERBICIDES CIBA-GEIGY AG (CH) 1989-04-05 EP disclosed
US-4698091-A 2-phenylpyrimidines, 2-naphthylpyrimidines and 2-heterocyclylpyrimidines as safeners for protecting cultivated plant against phytotoxic damage caused by herbicides CIBA-GEIGY CORPORATION (US) 1987-10-06 US disclosed
EP-0096657-A2 2-Phenyl-2-naphthyl and 2-heterocyclic pyrimidines as antidotes for protecting cultured plants before phytotoxic damages caused by herbicides CIBA-GEIGY AG (CH) 1983-12-21 EP 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 (1 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-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 KDM4E 3504/4885MAPT 1877/4885L3MBTL1 3023/4885

“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.