SCHEMBL369418

SCHEMBL369418

CN(C(=O)NC1CC1)c1ccc(C(=O)N2CCN(Cc3nc(C(=O)NC(C)(C)C)cs3)CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 13/20 0.38
PRKAB2 O43741 8/20 0.38
PRKAG1 P54619 8/20 0.38
PRKAA1 Q13131 8/20 0.38
PRKAG3 Q9UGI9 8/20 0.38
PRKAG2 Q9UGJ0 8/20 0.38
PRKAB1 Q9Y478 8/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ACKR3 P25106 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL369419 0.83 MAP3K7 (0.37) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL348680 0.82 ALDH1A1 (0.42) PRKAA2ALDH1A1SMN1; SMN2HRH3ACKR3
SCHEMBL348333 0.78 TP53 (0.41) ALDH1A1SMN1; SMN2HRH3ACKR3KMT2A
SCHEMBL348445 0.77 KMT2A (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL348679 0.72 HRH3 (0.47) ALDH1A1SMN1; SMN2HRH3ACKR3KMT2A
SCHEMBL348818 0.69 ACKR3 (0.51) ALDH1A1HRH3ACKR3
SCHEMBL347641 0.69 HRH3 (0.42) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL346910 0.68 ALDH1A1 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL347099 0.68 PRKAA2 (0.44) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13458584 0.68 HRH3 (0.42) SMN1; SMN2HRH3KMT2A

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-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 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-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 PRKAA2 4031/4885PRKAB2 4576/4885PRKAG1 4577/4885

“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.