SCHEMBL2378879

SCHEMBL2378879

CNCCc1ccc(C(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
POLB P06746 4/20 0.56
HPGD P15428 3/20 0.54
ALOX15 P16050 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHKA P35790 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
EPHX2 P34913 1/20 0.50
CDK1 P06493 1/20 0.50
DRD2 P14416 1/20 0.50
NPC1 O15118 1/20 0.50
ACACB O00763 1/20 0.50
GRM5 P41594 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK10 P53779 1/20 0.48

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
SCHEMBL21756206 0.87 HPGD (0.61) HRH3POLBHPGDKMT2AMEN1
SCHEMBL2377995 0.85 HRH3 (0.61) HRH3POLBHPGDALOX15LMNA
SCHEMBL27504123 0.82 HRH3 (0.61) HRH3POLBHPGDALOX15LMNA
SCHEMBL2379445 0.82 HRH3 (0.61) HRH3POLBHPGDALOX15LMNA
SCHEMBL10724841 0.80 POLB (0.81) HRH3POLBHPGDALOX15LMNA
SCHEMBL3754883 0.80 HRH3 (0.66) HRH3POLBHPGDALOX15LMNA
SCHEMBL11955563 0.80 HRH3 (0.66) HRH3POLBHPGDALOX15LMNA
SCHEMBL17457898 0.79 KMT2A (0.67) HRH3POLBHPGDALOX15LMNA
SCHEMBL19611152 0.79 HRH3 (0.58) HRH3POLBHPGDALOX15LMNA
SCHEMBL2378017 0.79 NAMPT (0.55) HRH3POLBHPGDALOX15LMNA

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 5 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
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 HRH3 2142/4885POLB 453/4885HPGD 1383/4885

“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.