SCHEMBL3222256

SCHEMBL3222256

NC(=O)c1ccc(NCCN2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.54
▸ LMNA P02545 1/20 0.53
▸ CD274 Q9NZQ7 5/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ ATM Q13315 1/20 0.49

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
SCHEMBL3234486 0.92 KDM4E (0.61) LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4844468 0.87 EPHX2 (0.56) EPHX2LMNACD274ALDH1A1HTR1A
SCHEMBL6154983 0.87 TNIK (0.49) EPHX2ALDH1A1KDM4EHPGDCNR1
SCHEMBL30969317 0.85 TNIK (0.51) EPHX2ALDH1A1KDM4EHPGDCNR1
SCHEMBL30969324 0.84 HDAC6 (0.52) LMNAALDH1A1KDM4ECNR1POLB
SCHEMBL3230823 0.84 HTR7 (0.63) EPHX2ALDH1A1KDM4E
SCHEMBL5741437 0.83 MAPK1 (0.59) EPHX2LMNACD274ALDH1A1KDM4E
SCHEMBL3222264 0.80 CD274 (0.55) LMNACD274ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2463879 0.80 KDM4E (0.58) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL27516592 0.80 HRH3 (0.58) EPHX2LMNACD274ALDH1A1HTR1A

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 8 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-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 — — EP claimed
CN-116102525-B Benzamide derivatives and uses thereof 沈阳药科大学 2024-11-12 — — CN disclosed
CN-116102525-A Benzamide derivatives and uses thereof 沈阳药科大学 2023-05-12 — — CN disclosed
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 EPHX2 3337/4885LMNA 4407/4885CD274 1639/4885

“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.

Send feedback