SCHEMBL15780934

SCHEMBL15780934

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
HTT P42858 3/20 0.38
HRH4 Q9H3N8 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.37

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
SCHEMBL15780892 0.84 L3MBTL1 (0.39) NPSR1L3MBTL1HPGDLMNAPOLB
SCHEMBL15780898 0.79 NPSR1 (0.44) NPSR1L3MBTL1HPGDLMNAPOLB
SCHEMBL2343551 0.78 CYP2C19 (0.43) NPSR1L3MBTL1HPGDLMNAPOLB
SCHEMBL15780893 0.75 EPHX1 (0.42) LMNAALDH1A1KDM4EPIK3CAMTOR
SCHEMBL15780901 0.72 ALDH1A1 (0.46) HPGDLMNAPOLBATMTDP1
SCHEMBL19623540 0.70 PIK3CA (0.57) NPSR1HPGDLMNAALDH1A1KDM4E
SCHEMBL2339714 0.67 HTR2C (0.58) TDP1USP2
SCHEMBL2343194 0.66 ALDH1A1 (0.47) NPSR1L3MBTL1HPGDLMNAPOLB
SCHEMBL24698533 0.66 GBA1 (0.46) L3MBTL1HPGDLMNAPOLBMAPK1
SCHEMBL2337911 0.66 HTR2C (0.56) NPSR1MAPK1

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 NPSR1 2430/4885L3MBTL1 2742/4885HPGD 397/4885

“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.