SCHEMBL16626803

SCHEMBL16626803

Cc1ncnc2c1CCN(C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.33
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LRRK2 Q5S007 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL13890073 0.74 PIK3CA (0.38) GRM5PIK3CAMTORALDH1A1
SCHEMBL19152985 0.69 KDM4E (0.38) MEN1KMT2AALDH1A1
SCHEMBL2669115 0.66 GRM5 (0.39) GRM5RECQLMEN1KMT2A
SCHEMBL2669108 0.64 HTR1A (0.44) GRM5MEN1KMT2ASMN1; SMN2
SCHEMBL15290670 0.64 CYP2C19 (0.35) GRM5ALDH1A1
SCHEMBL25972005 0.63 RIPK1 (0.36) ALDH1A1
SCHEMBL23337429 0.63 MEN1 (0.40) GRM5MEN1KMT2AALDH1A1
SCHEMBL22306172 0.63 MEN1 (0.42) GRM5POLBRECQLMEN1KMT2A
SCHEMBL13185363 0.63 PIK3CA (0.31) PIK3CAMTOR
SCHEMBL16921404 0.63 DPP4 (0.35) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 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-20150099777-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 GRM5 85/4885PIK3CA 4077/4885MTOR 291/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 GRM5 89/4885PIK3CA 3989/4885MTOR 285/4885

“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.