SCHEMBL2376465

SCHEMBL2376465

CCN1CCN(c2cccc(NC)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.59
GAA P10253 2/20 0.49
RAD52 P43351 2/20 0.49
DRD2 P14416 5/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 1/20 0.45
KHK P50053 2/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL3230491 0.83 DRD2 (0.51) DRD2MAPTKCNH2
SCHEMBL6263386 0.82 DRD4 (0.64) DRD2KDM4EMAPTSMN1; SMN2SIGMAR1
SCHEMBL31003568 0.82 CHRNA7 (0.53) CHRNA7GAARAD52DRD2KDM4E
SCHEMBL2378486 0.81 ADRA2C (0.61) GAAKDM4EMAPT
SCHEMBL18801748 0.81 PRMT6 (0.56) GAAKDM4EMAPT
SCHEMBL4947981 0.80 HCK (0.51) CHRNA7
SCHEMBL113800 0.80 PRMT6 (0.58) GAAKDM4EMAPT
SCHEMBL2377742 0.80 RAD52 (0.62) CHRNA7GAARAD52DRD2KDM4E
SCHEMBL30563617 0.78 KCNH2 (0.71) CHRNA7GAARAD52DRD2KDM4E
SCHEMBL10819408 0.78 KCNH2 (0.71) CHRNA7GAARAD52DRD2KDM4E

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 12 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 claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
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

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 4804/4885GAA 2827/4885RAD52 2095/4885

“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.