SCHEMBL1617026

SCHEMBL1617026

N[N+]12C=CN=CC1=C(C1=CC=C1)N=C2c1cccc2[nH]ccc12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
ASH1L Q9NR48 1/20 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
SCHEMBL4356179 0.81 IMPDH2 (0.38) ASH1L
SCHEMBL593646 0.74 NPC1 (0.33)
SCHEMBL4356365 0.74 AHR (0.31)
SCHEMBL4364741 0.72
SCHEMBL2459343 0.72 HSD17B1 (0.31)
SCHEMBL2460562 0.72
SCHEMBL4361839 0.69 TNK2 (0.30)
SCHEMBL593355 0.68 RIPK1 (0.39)
SCHEMBL4353357 0.67 TNK2 (0.33)
SCHEMBL4358948 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors OSI Pharmaceuticals, LLC 2011-09-08 US disclosed
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-7923555-B2 Fused bicyclic mTor inhibitors OSI PHARMACEUTICALS, INC. (US) 2011-04-12 US disclosed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 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 (3 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-20090163468-A1 Fused Bicyclic mTor Inhibitors MTOR, RICTOR, MAPKAP1 PIK3CD 57/4885ASH1L 2153/4885
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 PIK3CD 57/4885ASH1L 2153/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 PIK3CD 57/4885ASH1L 2153/4885

“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.