SCHEMBL2376407

SCHEMBL2376407

O=[C]N1CCN(c2cccnc2)CC1C(=O)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
PLOD1 Q02809 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
AKR1C3 P42330 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3R2 O00459 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3R5 Q8WYR1 1/20 0.40
PIK3R3 Q92569 1/20 0.40
CHRM1 P11229 1/20 0.40
GRM1 Q13255 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2376409 0.76 AKR1C3 (0.57) PLOD2PLOD3PLOD1CYP2C9CYP2C19
SCHEMBL7838846 0.71 SIGMAR1 (0.46) TP53SMN1; SMN2ALDH1A1MAPTMMP9
SCHEMBL29442130 0.71 CHRNB2 (0.59) PLOD2PLOD3PLOD1TP53SMN1; SMN2
SCHEMBL256566 0.71 CHRNB2 (0.59) PLOD2PLOD3PLOD1TP53SMN1; SMN2
SCHEMBL4350327 0.70 LMNA (0.62) PLOD2PLOD3PLOD1TP53SMN1; SMN2
SCHEMBL28722657 0.68 PLOD2 (0.57) PLOD2PLOD3PLOD1TP53SMN1; SMN2
SCHEMBL7272714 0.68 MAPK1 (0.41) TP53SMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL28139563 0.67 CYP3A4 (0.55) PLOD2PLOD3PLOD1CYP2C9CYP2C19
SCHEMBL2384726 0.67 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL27781454 0.67 TRPV1 (0.56) CYP2C9CYP2C19AKR1C3ALDH1A1CHRNB2

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 4 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
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
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 PLOD2 4781/4885PLOD3 4819/4885PLOD1 4786/4885

“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.