SCHEMBL808272

SCHEMBL808272

Cc1nc2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nc3c2n1C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.46
PIK3CA P42336 15/20 0.46
JAK1 P23458 2/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.38
MAP3K12 Q12852 1/20 0.37
TNF P01375 1/20 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
SCHEMBL15131854 0.90 MTOR (0.45) MTORPIK3CAJAK1JAK2JAK3
SCHEMBL10070701 0.87 MTOR (0.41) MTORPIK3CAMAP3K12TNF
SCHEMBL808273 0.85 MTOR (0.53) MTORPIK3CAJAK1JAK3
SCHEMBL15133594 0.84 MAP3K12 (0.52) MTORPIK3CAMAP3K12
SCHEMBL808109 0.84 MTOR (0.45) MTORPIK3CA
SCHEMBL10070214 0.82 MTOR (0.54) MTORPIK3CAJAK1JAK3
SCHEMBL10070216 0.82 RAF1 (0.45) MTORPIK3CAJAK1JAK3MAP3K12
SCHEMBL808098 0.82 MTOR (0.47) MTORPIK3CA
SCHEMBL808111 0.82 MTOR (0.51) MTORPIK3CAJAK1JAK2JAK3
SCHEMBL808107 0.82 PIK3CA (0.51) MTORPIK3CAJAK1JAK2MAP3K12

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 1962/4885JAK1 3946/4885

“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.