SCHEMBL2378672

SCHEMBL2378672

CCN1CCN(c2ccc(N(C)C(C)=O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 3/20 0.53
RAD52 P43351 3/20 0.53
KDM4E B2RXH2 1/20 0.53
GFER P55789 1/20 0.53
CHRNA7 P36544 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL2376853 0.83 CHRNA7 (0.50) GAARAD52CHRNA7
SCHEMBL23448633 0.81 MAPT (0.51) SMN1; SMN2MAPTGAARAD52KDM4E
SCHEMBL3246144 0.78 MAPKAPK2 (0.53) KDM4ELMNA
SCHEMBL1482373 0.78 KMT2A (0.59) SMN1; SMN2MAPTGAARAD52KDM4E
SCHEMBL1305549 0.74 CHRNA7 (0.62) SMN1; SMN2MAPTGAARAD52KDM4E
SCHEMBL3251913 0.73 MAPT (0.60) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL24452939 0.73 MAPT (0.67) SMN1; SMN2MAPTGAARAD52KDM4E
Hydrochloric Acid SCHEMBL4653256 0.73 CHRNA7 (0.61) SMN1; SMN2MAPTGAARAD52KDM4E
SCHEMBL2233770 0.73 SMN1; SMN2 (0.57) SMN1; SMN2MAPTGAARAD52KDM4E
SCHEMBL2232683 0.73 GAA (0.62) SMN1; SMN2MAPTGAARAD52KDM4E

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 10 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

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 SMN1; SMN2 3098/4885MAPT 4385/4885GAA 2827/4885

“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.