SCHEMBL7706335

SCHEMBL7706335

Cc1cccc(C)c1NC(=O)C1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ULK1 O75385 1/20 0.49
EPHX1 P07099 1/20 0.47
SCN4A P35499 2/20 0.46
F10 P00742 1/20 0.46
KHK P50053 1/20 0.45
CDK9 P50750 1/20 0.45
LMNA P02545 2/20 0.45
KCNK3 O14649 1/20 0.45
ALOX15 P16050 1/20 0.45
ROCK2 O75116 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC6A1 P30531 2/20 0.44
SLC6A11 P48066 1/20 0.44
TSHR P16473 1/20 0.44
SLC6A13 Q9NSD5 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1911362 0.89 CDK9 (0.54) TNKSTNKS2MEN1KMT2AULK1
SCHEMBL2451469 0.84 TNKS (0.58) TNKSTNKS2LMNAROCK2SMN1; SMN2
SCHEMBL22430578 0.83 MEN1 (0.64) MEN1KMT2AEPHX1SCN4ALMNA
SCHEMBL10500284 0.82 MEN1 (0.59) MEN1KMT2AULK1EPHX1SCN4A
SCHEMBL22412508 0.80 POLB (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL22423670 0.80 MEN1 (0.68) MEN1KMT2AEPHX1SCN4ALMNA
SCHEMBL259381 0.80 NPSR1 (0.72) TNKSTNKS2ULK1F10KHK
SCHEMBL2448229 0.78 ULK1 (0.56) TNKSTNKS2ULK1KHKLMNA
SCHEMBL1318173 0.78 HPGD (0.66) TNKSTNKS2MEN1KMT2AULK1
SCHEMBL2446479 0.78 HPGD (0.66) TNKSTNKS2MEN1KMT2AULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 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 (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-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TNKS 2707/4885TNKS2 3405/4885MEN1 2975/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TNKS 2707/4885TNKS2 3405/4885MEN1 2975/4885

“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.