SCHEMBL10070701

SCHEMBL10070701

Nc1ncc(-c2ccc3ncc4nnn(C5CCN(Cc6ccccn6)CC5)c4c3n2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.41
PIK3CA P42336 5/20 0.41
TNF P01375 1/20 0.37
PDE8B O95263 1/20 0.35
MAP3K12 Q12852 5/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
MAP4K4 O95819 3/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL15131792 0.89 MTOR (0.41) MTORPIK3CAMAP4K4
SCHEMBL807978 0.87 MTOR (0.46) MTORPIK3CAMAP3K12
SCHEMBL808272 0.87 MTOR (0.46) MTORPIK3CATNFMAP3K12
SCHEMBL807979 0.86 MAP3K12 (0.40) MTORPIK3CAMAP3K12
SCHEMBL10070700 0.85 MTOR (0.46) MTORPIK3CAMAP3K12MAP4K4
SCHEMBL10070651 0.84 MAP3K12 (0.46) MTORPIK3CAMAP3K12MAP4K4
SCHEMBL10070703 0.84 MTOR (0.40) MTORPIK3CATNFALDH1A1LMNA
SCHEMBL796725 0.83 MAP3K12 (0.40) MTORPIK3CAMAP3K12MAP4K4
SCHEMBL15131778 0.82 PIK3CA (0.45) MTORPIK3CAMAP3K12
SCHEMBL15133595 0.82 MAP3K12 (0.45) MTORPIK3CAMAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR MTOR 4193/4885PIK3CA 1962/4885TNF 3966/4885

“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.