SCHEMBL2595616

SCHEMBL2595616

Cc1ccc(N(N)C(=O)C2CN(C(=O)O)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM1A O60341 3/20 0.33

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
SCHEMBL9994907 0.83 NOTUM (0.39) HPGDGAAALDH1A1RAB9A
SCHEMBL9995101 0.81 GPR119 (0.46) PDK2HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL19265536 0.78 CNR2 (0.50) PDK2CNR1CNR2HPGDMEN1
SCHEMBL742645 0.72 RAB9A (0.42) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11319421 0.70 ALDH1A1 (0.44) GAAALDH1A1SMN1; SMN2TSHRRAB9A
SCHEMBL4713689 0.70 SMN1; SMN2 (0.38) S1PR1S1PR5CNR1CNR2HPGD
SCHEMBL19520284 0.69 PDK2 (0.65) PDK2HPGDMEN1KMT2AGAA
SCHEMBL11314703 0.68 ALDH1A1 (0.41) GAAALDH1A1SMN1; SMN2TSHRRAB9A
SCHEMBL11030370 0.67 ALOX5 (0.46) HPGDMEN1KMT2AGAAALDH1A1
SCHEMBL2569062 0.67 DPP4 (0.39) PDK2MEN1KMT2AGAASMN1; SMN2

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-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
EP-2569299-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO 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 PDK2 434/4885S1PR1 4017/4885S1PR5 4230/4885

“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.