SCHEMBL9995010

SCHEMBL9995010

Cc1cccc(N(N)C(=O)C2CN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
USP30 Q70CQ3 4/20 0.40
KAT6A Q92794 1/20 0.38
KAT5 Q92993 1/20 0.38
NAMPT P43490 1/20 0.38
RORC P51449 1/20 0.37
KDM1A O60341 1/20 0.37
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL9994852 0.87 STS (0.47) KMT2AMEN1USP30STS
SCHEMBL9995101 0.85 GPR119 (0.46) GPR119KMT2AMEN1USP30NAMPT
SCHEMBL9994907 0.83 NOTUM (0.39)
SCHEMBL742853 0.78 STS (0.47) KMT2AMEN1USP30STS
SCHEMBL739287 0.78 ALDH1A1 (0.44) GPR119KMT2AMEN1USP30
SCHEMBL742792 0.77 MEN1 (0.47) KMT2AMEN1USP30STS
SCHEMBL3407971 0.76 CYP3A4 (0.40) GPR119KMT2AMEN1
SCHEMBL3181373 0.75 GPR119 (0.56) GPR119KMT2AMEN1STS
SCHEMBL6630324 0.73 KMT2A (0.62) GPR119KMT2AMEN1USP30
SCHEMBL29120062 0.72 GPR119 (0.52) GPR119KMT2AMEN1USP30NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 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 (1 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-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A GPR119 16/4885KMT2A 1685/4885MEN1 2760/4885

“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.