SCHEMBL2378092

SCHEMBL2378092

CN1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.54
HPGD P15428 2/20 0.53
ALOX15 P16050 1/20 0.53
HRH3 Q9Y5N1 2/20 0.51
MAPK10 P53779 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD11B1 P28845 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL13849832 0.89 CNR2 (0.55) NAMPTHPGDMEN1KMT2ALMNA
SCHEMBL2378017 0.88 NAMPT (0.55) NAMPTHPGDALOX15HRH3MEN1
SCHEMBL27400423 0.86 ALDH1A1 (0.55) NAMPTHPGDHRH3MAPK10MEN1
SCHEMBL8543987 0.84 NAMPT (0.52) NAMPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL21015832 0.83 HPGD (0.57) NAMPTHPGDALOX15HRH3MAPK10
SCHEMBL31647298 0.83 NAMPT (0.73) NAMPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4487502 0.82 KMT2A (0.58) NAMPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL5592840 0.81 KMT2A (0.61) NAMPTHPGDALOX15HRH3MAPK10
SCHEMBL3190565 0.81 KDR (0.48)
SCHEMBL3400767 0.81 EPHX2 (0.60) NAMPTHPGDALOX15MEN1KMT2A

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 NAMPT 233/4885HPGD 1383/4885ALOX15 3901/4885

“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.