SCHEMBL2339841

SCHEMBL2339841

Cc1ccc(-c2nc(N3CCCC3)nc3c2CN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MTOR P42345 3/20 0.43
C5AR1 P21730 3/20 0.42
PDE10A Q9Y233 2/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
PIK3R1 P27986 5/20 0.40
PIK3CA P42336 5/20 0.40
ESR2 Q92731 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL14328064 0.78 P2RX7 (0.49) MAPTMTORC5AR1PDE10ACKS1B
SCHEMBL2334926 0.78 MTOR (0.42) MAPTMTORPIK3R1PIK3CA
SCHEMBL2343551 0.77 CYP2C19 (0.43) MAPT
SCHEMBL184023 0.76 HTR2A (0.51) MAPTMTORC5AR1PDE10AESR2
SCHEMBL16610537 0.73 PRLHR (0.41) MAPTMTORC5AR1PDE10AGPR119
SCHEMBL24699477 0.72 ALDH1A1 (0.47) MAPT
SCHEMBL25526820 0.71 MTOR (0.47) MAPTMTORC5AR1PDE10AESR2
SCHEMBL12706798 0.71 MAPT (0.59) MAPTMTORC5AR1PDE10AGPR119
SCHEMBL193036 0.71 HTR2A (0.52) MTORC5AR1PDE10ACKS1BSKP1
SCHEMBL17523460 0.70 MTOR (0.47) MAPTMTORC5AR1PDE10AESR2

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-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 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-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR2A, HTR6, HTR5A MAPT 1772/4885MTOR 746/4885C5AR1 2076/4885

“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.