SCHEMBL10200352

SCHEMBL10200352

c1ccc(COc2cccc(-c3ccc4c(n3)OCCNC4)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
CDC7 O00311 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
GRM5 P41594 1/20 0.39
NAAA Q02083 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PRKDC P78527 1/20 0.38
ATM Q13315 1/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA7 P36544 3/20 0.38
CHRNA4 P43681 3/20 0.38

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
Trifluoroacetic Acid SCHEMBL2110355 0.93 NAAA (0.40) NAAAJAK2JAK1
SCHEMBL10200719 0.88 ENPP3 (0.45)
Hydrochloric Acid SCHEMBL2110686 0.87 ENPP3 (0.44)
SCHEMBL10200298 0.82 CD274 (0.46) MAOBMAOACD274
SCHEMBL10200361 0.82 CYP3A4 (0.36) CD274NAAA
SCHEMBL2109259 0.80 HTR2C (0.38) MAOBGRM5ATM
SCHEMBL10249466 0.80 FYN (0.39) CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL2112997 0.79 HTR2C (0.38) MAOBGRM5ATM
SCHEMBL15713286 0.79 CD274 (0.41) BACE1MAOBMAOACDC7CD274
SCHEMBL10200397 0.79 PIK3CA (0.43)

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-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B BACE1 1691/4885MAOB 33/4885MAOA 28/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B BACE1 1691/4885MAOB 33/4885MAOA 28/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B BACE1 1691/4885MAOB 33/4885MAOA 28/4885

“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.