SCHEMBL2376853

SCHEMBL2376853

CCN1CCN(c2cccc(N(C)C(C)=O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
DRD2 P14416 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR7 P34969 3/20 0.44
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL2378389 0.85 HTR2C (0.57) HTR1AHTR7HTR2C
SCHEMBL2378672 0.83 SMN1; SMN2 (0.53) CHRNA7GAARAD52
SCHEMBL15685762 0.81 CHRNA7 (0.57) CHRNA7DRD2HTR7GAARAD52
SCHEMBL2377662 0.74 CHRNA7 (0.56) CHRNA7DRD2HTR1AHTR7GAA
SCHEMBL1599712 0.73 DRD2 (0.77) CHRNA7DRD2HTR7GAARAD52
SCHEMBL10294634 0.73 KCNH2 (0.69) CHRNA7
SCHEMBL4577571 0.71 CHRNA7 (0.56) CHRNA7DRD2GAARAD52
SCHEMBL10819408 0.71 KCNH2 (0.71) CHRNA7DRD2HTR7GAARAD52
SCHEMBL1126080 0.71 GAA (0.66) CHRNA7DRD2HTR1AGAARAD52
SCHEMBL30647354 0.71 GAA (0.66) CHRNA7DRD2HTR1AGAARAD52

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 CHRNA7 4804/4885DRD2 3654/4885HTR1A 2914/4885

“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.