SCHEMBL15780896

SCHEMBL15780896

O=Nc1ccc(-c2nc(N3CCCCC3)nc3c2CNC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
HRH1 P35367 1/20 0.33
CASP1 P29466 1/20 0.32
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL15780898 0.84 NPSR1 (0.44) L3MBTL1HPGDLMNATDP1MAPK1
SCHEMBL15780892 0.81 L3MBTL1 (0.39) L3MBTL1HPGDLMNATDP1MAPK1
SCHEMBL15780897 0.74 GAA (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL2337911 0.73 HTR2C (0.56) MAPK1NPSR1HTR2AHTR2CHTR2B
SCHEMBL2342040 0.73 HTR2A (0.54) HTR2AHTR2CHTR2B
SCHEMBL2337589 0.73 HTR2A (0.48) L3MBTL1HPGDLMNATDP1MAPK1
SCHEMBL2342562 0.72 HTR2C (0.49) L3MBTL1HPGDLMNAMAPK1NPSR1
SCHEMBL2335335 0.72 HTR2A (0.56) MAPK1ALDH1A1KDM4EHTR2AHTR2C
SCHEMBL2333926 0.72 HTR2A (0.60) HTR2AHTR2CHTR2B
SCHEMBL2333664 0.72 HTR2C (0.57) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-06-12 US 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-20140163023-A1 DIHYDROPYRROLO PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR L3MBTL1 2742/4885HPGD 397/4885LMNA 4004/4885

“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.