SCHEMBL15082037

SCHEMBL15082037

Cc1ccc(-n2c(=O)n(C)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.51
HPD P32754 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
RGS4 P49798 1/20 0.43
RGS8 P57771 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL14826567 0.91 KMT2A (0.46) PGRADORA3HPDKMT2ANPC1
SCHEMBL14826487 0.91 KMT2A (0.52) PGRADORA3HPDKMT2ANPC1
SCHEMBL15929629 0.89 GAA (0.47) PGRADORA3HPDKMT2ANPC1
SCHEMBL24087845 0.89 HPD (0.57) PGRADORA3HPDKMT2ANPC1
SCHEMBL25454368 0.89 HPD (0.57) PGRADORA3HPDKMT2ANPC1
SCHEMBL15929630 0.88 GAA (0.46) PGRADORA3HPDKMT2ANPC1
SCHEMBL25767171 0.88 HPD (0.56) PGRADORA3HPDKMT2ANPC1
SCHEMBL14826607 0.87 NPSR1 (0.48) PGRADORA3HPDKMT2ANPC1
SCHEMBL6362809 0.86 PGR (0.68) PGRADORA3ALDH1A1KDM4EGSK3A
SCHEMBL15396388 0.84 PGR (0.51) PGRKMT2AMEN1ALDH1A1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A PGR 3654/4885ADORA3 1816/4885HPD 819/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A PGR 3654/4885ADORA3 1816/4885HPD 819/4885

“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.