SCHEMBL10249555

SCHEMBL10249555

OCc1ccc(-c2ccc3c(n2)OCCNC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.34
KDM1A O60341 1/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
FYN P06241 2/20 0.32
EP300 Q09472 1/20 0.32
GRM2 Q14416 1/20 0.31
PLAU P00749 1/20 0.30
PDCD1 Q15116 3/20 0.30
CD274 Q9NZQ7 3/20 0.30
PARP1 P09874 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL10249463 0.87 S1PR1 (0.30) S1PR1
SCHEMBL10249466 0.85 FYN (0.39) MTORPIK3CAFYNGRM2PARP1
SCHEMBL2110562 0.82 MAPK13 (0.36)
SCHEMBL2110366 0.82 PNMT (0.37) S1PR1
SCHEMBL2111484 0.82 ENPP3 (0.34) MTORCD274S1PR1
SCHEMBL2109259 0.82 HTR2C (0.38)
SCHEMBL10200406 0.81 PKN2 (0.38)
Hydrochloric Acid SCHEMBL2112997 0.81 HTR2C (0.38)
SCHEMBL15936423 0.81 RARA (0.38) MTORPIK3CAPIK3CG
SCHEMBL2109282 0.80 DRD2 (0.40) MTORKDM1AS1PR1

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 MTOR 992/4885KDM1A 2568/4885PIK3CA 1315/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B MTOR 992/4885KDM1A 2568/4885PIK3CA 1315/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B MTOR 992/4885KDM1A 2568/4885PIK3CA 1315/4885

“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.