SCHEMBL3388515

SCHEMBL3388515

Nc1ccc2c(c1)CN(CCO)C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PRF1 P14222 2/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CRBN Q96SW2 1/20 0.42
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP7 P55210 1/20 0.41
TNF P01375 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 1/20 0.38

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
SCHEMBL4724309 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDPARP1PARP2
SCHEMBL6440457 0.83 ADAM17 (0.47) KDM4EALDH1A1HPGDPARP1PARP2
SCHEMBL2504791 0.82 KDM4E (0.52) KDM4EALDH1A1HPGDPRF1ALOX15
SCHEMBL29370739 0.81 PARP1 (0.46) KDM4EALDH1A1HPGDPARP1PARP2
SCHEMBL3045977 0.81 PRMT5 (0.45) KDM4EALDH1A1HPGDPARP1PARP2
SCHEMBL2019427 0.81 PRF1 (0.44) KDM4EALDH1A1HPGDPARP1PARP2
SCHEMBL13432191 0.81 PRF1 (0.44) KDM4EALDH1A1HPGDPARP1PARP2
SCHEMBL1950557 0.81 ATAD2 (0.45) KDM4EALDH1A1HPGDPRF1ALOX15
SCHEMBL28612494 0.81 PARP1 (0.48) KDM4EALDH1A1HPGDPARP1PARP2
SCHEMBL28611949 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDALOX15TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045559-B Diaryl urea PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof 贵州医科大学 2022-05-20 CN disclosed
CN-113045559-A Diaryl urea PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof 贵州医科大学 2021-06-29 CN disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 KDM4E 2587/4885ALDH1A1 2440/4885HPGD 3720/4885

“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.