SCHEMBL15780893

SCHEMBL15780893

CN1Cc2nc(N3CCCCC3)nc(-c3ccc(NC(=O)NC4CC4)cc3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
GAA P10253 2/20 0.42
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
EPHX2 P34913 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL15780897 0.84 GAA (0.42) EPHX1RAB9ANPC1GAAEPHX2
SCHEMBL12988377 0.82 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL12988381 0.82 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL12988171 0.75 MTOR (0.51) GAAPIK3CAMTORPIK3CG
SCHEMBL15780934 0.75 NPSR1 (0.44) RAB9ANPC1GAATP53KDM4E
SCHEMBL12986754 0.75 MTOR (0.50) PIK3CAMTOR
SCHEMBL15780892 0.74 L3MBTL1 (0.39) GAATP53KDM4ELMNAHSD17B10
SCHEMBL15769378 0.73 MTOR (0.53) PIK3CAMTOR
SCHEMBL12989060 0.73 MTOR (0.53) PIK3CAMTOR
SCHEMBL12986891 0.73 PIK3CA (0.51) PIK3CAMTOR

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 EPHX1 2676/4885RAB9A 1457/4885NPC1 1338/4885

“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.