SCHEMBL15028546

SCHEMBL15028546

CCc1ccc2nnc(C)n2c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PBRM1 Q86U86 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MLLT1 Q03111 1/20 0.33
MAPK14 Q16539 2/20 0.32
MET P08581 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL16619995 0.81 LOXL2 (0.36) BRD4HRH3SMN1; SMN2PBRM1L3MBTL1
SCHEMBL16619441 0.78 HRH3 (0.33) BRD4HRH3CCNCCDK8
SCHEMBL1695177 0.75 SMN1; SMN2 (0.41) BRD4HRH3SMN1; SMN2PBRM1L3MBTL1
SCHEMBL17232696 0.73 NQO1 (0.43) TDP1SMN1; SMN2AKT1AKT2MAPK14
SCHEMBL20160365 0.72 SMN1; SMN2 (0.35) BRD4HRH3SMN1; SMN2PBRM1L3MBTL1
SCHEMBL12510331 0.72 CCNC (0.45) BRD4SMN1; SMN2PBRM1L3MBTL1CCNC
SCHEMBL12510429 0.72 SCN5A (0.42) MAPK14
SCHEMBL254009 0.72 GAA (0.44) HRH3SMN1; SMN2PBRM1L3MBTL1MAPK14
SCHEMBL16686865 0.72 PIM1 (0.38) BRD4HRH3SMN1; SMN2PBRM1L3MBTL1
SCHEMBL12811142 0.72 MCHR1 (0.40) SMN1; SMN2AKT1AKT2MAPT

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-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 US disclosed
WO-2013083206-A1 DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 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-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 BRD4 57/4885APOBEC3G 2725/4885TDP1 3938/4885

“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.