SCHEMBL113568

SCHEMBL113568

COCCOc1cccc(F)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.44
TSHR P16473 1/20 0.41
SYK P43405 1/20 0.38
KDM1A O60341 1/20 0.36
GRM4 Q14833 1/20 0.35
MAPT P10636 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
MIF P14174 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL25028948 0.81 HTR7 (0.65) HTR7TSHRSYKKDM1AGRM4
SCHEMBL12093679 0.81 HTR7 (0.46) HTR7TSHRKDM1AGRM4
SCHEMBL7565905 0.81 NCF1 (0.42) HTR7
SCHEMBL7564408 0.81 HTR7 (0.41) HTR7TSHR
SCHEMBL12092900 0.79 TSHR (0.46) HTR7TSHRKDM1AGRM4MAPT
SCHEMBL8504109 0.79 MCHR1 (0.43) HTR7TSHR
SCHEMBL25097014 0.79 MAPK8 (0.49) HTR7MAPTDRD4
SCHEMBL18474383 0.78 TSHR (0.41) HTR7TSHRSYKKDM1AGRM4
Hydrochloric Acid SCHEMBL19743607 0.78 KDM4E (0.44) HTR7DRD4
SCHEMBL1964751 0.78 TSHR (0.41) HTR7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 CN disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD HTR7 4171/4885TSHR 4062/4885SYK 460/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD HTR7 4171/4885TSHR 4062/4885SYK 460/4885

“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.