SCHEMBL3230823

SCHEMBL3230823

NC(=O)c1cccc(NCCN2CCOCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.63
EPHX2 P34913 6/20 0.57
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
KDM4E B2RXH2 1/20 0.51
GRK2 P25098 1/20 0.51
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SCN9A Q15858 1/20 0.48
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 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
SCHEMBL5744534 0.88 EPHX2 (0.61) HTR7EPHX2PRMT5WDR77KDM4E
SCHEMBL5744332 0.85 ALDH1A1 (0.67) HTR7EPHX2PRMT5WDR77KDM4E
SCHEMBL3222256 0.84 EPHX2 (0.54) EPHX2KDM4EALDH1A1
SCHEMBL2720343 0.82 CYP2C19 (0.69) EPHX2KDM4ECYP2C19CYP2C9ALDH1A1
SCHEMBL3230830 0.80 MEN1 (0.52) HTR7EPHX2KDM4ECYP2C19MEN1
SCHEMBL3203432 0.80 ALDH1A1 (0.74) KDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2387381 0.79 MEN1 (0.51) HTR7KDM4ECYP2C19MEN1KMT2A
SCHEMBL2463879 0.79 KDM4E (0.58) KDM4ECYP2C19ALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6365199 0.77 ITGB3 (0.55) EPHX2PRMT5WDR77KDM4EGRK2
SCHEMBL13872559 0.77 KMT2A (0.50) HTR7EPHX2PRMT5WDR77KDM4E

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
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP 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 HTR7 3606/4885EPHX2 3337/4885PRMT5 1374/4885

“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.