SCHEMBL336202

SCHEMBL336202

Clc1nc(Cl)c2ncn(CC3CCOC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.49
CYP11B2 P19099 1/20 0.42
PDE8A O60658 2/20 0.42
P2RX7 Q99572 1/20 0.41
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
PPARD Q03181 5/20 0.37
PPARG P37231 4/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
CTSS P25774 2/20 0.37

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
SCHEMBL2195860 0.92 YTHDC1 (0.54) YTHDC1CYP11B2PDE8AP2RX7LMNA
SCHEMBL30332108 0.85 YTHDC1 (0.60) YTHDC1PDE8AP2RX7LMNATP53
SCHEMBL16688866 0.84 CTSS (0.48) YTHDC1CYP11B2CTSS
SCHEMBL336623 0.83 PIK3CA (0.47) YTHDC1CYP11B2PDE8A
SCHEMBL5161695 0.81 YTHDC1 (0.70) YTHDC1CYP11B2PDE8AP2RX7LMNA
SCHEMBL2198112 0.80 PDE8A (0.60) YTHDC1PDE8ALMNATP53ADORA3
SCHEMBL31329164 0.77 YTHDC1 (0.46) YTHDC1PDE8AP2RX7LMNATP53
SCHEMBL15600395 0.77 HRH3 (0.41) CYP11B2CTSS
SCHEMBL2311039 0.75 LMNA (0.46) YTHDC1LMNATP53ADORA3ADORA2A
SCHEMBL2311029 0.75 LMNA (0.46) YTHDC1LMNATP53ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2840083-B1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-09-13 EP disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 US disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 US disclosed
EP-2840083-A1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2015-02-25 EP disclosed
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 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 (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-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB YTHDC1 2756/4885CYP11B2 3361/4885PDE8A 4617/4885
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 YTHDC1 581/4885CYP11B2 3305/4885PDE8A 2330/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 YTHDC1 581/4885CYP11B2 3305/4885PDE8A 2330/4885

“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.