SCHEMBL2755239

SCHEMBL2755239

Cc1cccnc1-c1nnc(C2CCNCC2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.45
SLC6A2 P23975 8/20 0.45
SLC6A4 P31645 8/20 0.45
HTR2C P28335 4/20 0.42
CARM1 Q86X55 1/20 0.41
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
SLC6A3 Q01959 3/20 0.37
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 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
Hydrochloric Acid SCHEMBL239322 0.99 HTR1A (0.44) HTR1ASLC6A2SLC6A4HTR2CCARM1
SCHEMBL2755244 0.78 HPGDS (0.40) HTR1ASLC6A2SLC6A4CARM1SLC6A3
Hydrochloric Acid SCHEMBL239078 0.77 HPGDS (0.40) HTR1ASLC6A2SLC6A4HTR2CCARM1
SCHEMBL238932 0.76 PLAT (0.43) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2755230 0.73 BRD4 (0.41) HTR2CCARM1MAPK13RAF1MAPK9
SCHEMBL2755243 0.73 MAP3K12 (0.42) HTR1ASLC6A2SLC6A4HTR2CCARM1
SCHEMBL2755236 0.72 GABRA1 (0.47) GABRA1
SCHEMBL2755247 0.72 CCR1 (0.42) HTR2CMAPK14
SCHEMBL3941345 0.72 HPGDS (0.50) HTR2CGABRA1GABRB2
Hydrochloric Acid SCHEMBL236905 0.72 BRD4 (0.40) HTR2CCARM1MAPK13RAF1MAPK9

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-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 HTR1A 4294/4885SLC6A2 3138/4885SLC6A4 2419/4885

“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.