SCHEMBL7880701

SCHEMBL7880701

CN1CCN2C(=O)NC(=O)CC2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
DRD2 P14416 1/20 0.38
CRBN Q96SW2 2/20 0.34
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
NEK2 P51955 1/20 0.30

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
SCHEMBL10232753 0.77 TOP2A (0.32) CRBNTDP1SIGMAR1
SCHEMBL7881654 0.77 DRD2 (0.42) DRD2CRBN
SCHEMBL1350944 0.77 HTR2A (0.50) HTR2AHTR2CHTR2BDRD2KDM4E
SCHEMBL2013376 0.74 DRD2 (0.48) HTR2AHTR2CHTR2BDRD2KDM4E
SCHEMBL2014167 0.74 DRD2 (0.48) HTR2AHTR2CHTR2BDRD2KDM4E
SCHEMBL25039621 0.73 HTR2A (0.41) HTR2AHTR2CHTR2BDRD2KDM4E
SCHEMBL21739442 0.73 HTR2A (0.41) HTR2AHTR2CHTR2BDRD2KDM4E
SCHEMBL21740351 0.73 HTR2A (0.41) HTR2AHTR2CHTR2BDRD2KDM4E
SCHEMBL2558862 0.73 HTR2C (0.45) HTR2AHTR2CHTR2BDRD2
SCHEMBL692247 0.73 HTR2C (0.45) HTR2AHTR2CHTR2BDRD2

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR HTR2A 2788/4885HTR2C 2963/4885HTR2B 3731/4885

“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.