SCHEMBL10249466

SCHEMBL10249466

OCc1cccc(-c2ccc3c(n2)OCCNC3)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.39
MTOR P42345 4/20 0.38
CDK8 P49336 1/20 0.38
PIK3CA P42336 3/20 0.37
PRKCI P41743 1/20 0.37
ATR Q13535 1/20 0.36
GRM2 Q14416 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PARP1 P09874 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL10249555 0.85 MTOR (0.34) FYNMTORPIK3CAGRM2PARP1
SCHEMBL10200397 0.84 PIK3CA (0.43) FYNMTORPIK3CA
SCHEMBL10200361 0.83 CYP3A4 (0.36)
SCHEMBL10249479 0.81 IDO1 (0.38) FYNMTOR
SCHEMBL10200313 0.81 ALDH1A1 (0.38) FYNMTORPIK3CA
SCHEMBL10200216 0.81 MAP4K4 (0.38)
SCHEMBL2109259 0.81 HTR2C (0.38)
SCHEMBL10200352 0.80 BACE1 (0.40) CHRNB4CHRNA3CHRNA7
SCHEMBL10200321 0.80 PARP10 (0.42) FYNCDK8ATRLRRK2
SCHEMBL10200337 0.80 ASIC3 (0.53)

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
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-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-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 FYN 1442/4885MTOR 992/4885CDK8 1436/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B FYN 1442/4885MTOR 992/4885CDK8 1436/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B FYN 1442/4885MTOR 992/4885CDK8 1436/4885

“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.