SCHEMBL15780892

SCHEMBL15780892

CN1Cc2nc(N3CCCCC3)nc(-c3ccc(N=O)cc3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL15780934 0.84 NPSR1 (0.44) L3MBTL1HPGDLMNAPOLBMAPK1
SCHEMBL15780896 0.81 L3MBTL1 (0.39) L3MBTL1HPGDLMNAPOLBMAPK1
SCHEMBL15780891 0.79 HTR2A (0.38)
SCHEMBL2343551 0.75 CYP2C19 (0.43) L3MBTL1HPGDLMNAPOLBMAPK1
SCHEMBL15780893 0.74 EPHX1 (0.42) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL15780901 0.70 ALDH1A1 (0.46) HPGDLMNAPOLBATMTDP1
SCHEMBL2339714 0.64 HTR2C (0.58) TDP1USP2
SCHEMBL2343194 0.64 ALDH1A1 (0.47) L3MBTL1HPGDLMNAPOLBMAPK1
SCHEMBL2337911 0.63 HTR2C (0.56) MAPK1NPSR1
SCHEMBL2337589 0.63 HTR2A (0.48) L3MBTL1HPGDLMNAPOLBMAPK1

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.