SCHEMBL1129239

SCHEMBL1129239

COc1cc(C2=NC(C3CCC(CNC(=O)OCc4ccccc4)CC3)=C3C=NC=C[N+]23N)ccc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 5/20 0.56
CTSD P07339 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
SMPD3 Q9NY59 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
PRKCZ Q05513 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
PDE4B Q07343 1/20 0.32
BTK Q06187 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL1129394 0.89 TNK2 (0.51) TNK2NAPEPLDMEN1KMT2ABTK
SCHEMBL4368129 0.85 TNK2 (0.48) TNK2BTK
SCHEMBL2459335 0.80 IGF1R (0.44) TNK2
SCHEMBL1129647 0.80 TNK2 (0.42) TNK2MEN1KMT2A
SCHEMBL4360608 0.77 TNK2 (0.47) TNK2
SCHEMBL2459972 0.76 IGF1R (0.40)
SCHEMBL1128792 0.75 TNK2 (0.43) TNK2MEN1KMT2ABTK
SCHEMBL2462722 0.75 BCHE (0.39) TNK2MEN1KMT2ADRD2DRD4
SCHEMBL2460224 0.74 IGF1R (0.37) TNK2
SCHEMBL2458133 0.74 IGF1R (0.41) TNK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US claimed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP claimed
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 TNK2 2837/4885CTSD 4000/4885CCNT1 1873/4885

“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.