SCHEMBL1129368

SCHEMBL1129368

Nc1nccn2c(I)nc(Br)c12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.34
TNK2 Q07912 11/20 0.34
ABL1 P00519 4/20 0.33
SRC P12931 4/20 0.33
BTK Q06187 1/20 0.33
FGFR2 P21802 1/20 0.32
ADORA2A P29274 1/20 0.30

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
SCHEMBL3540179 0.81 NUDT1 (0.36) NUDT1TNK2ABL1SRCBTK
SCHEMBL20810656 0.81 NUDT1 (0.36) NUDT1TNK2ABL1SRCBTK
SCHEMBL23044547 0.79 BTK (0.48) NUDT1TNK2ABL1SRCBTK
SCHEMBL17893144 0.75 NUDT1 (0.34) NUDT1TNK2ABL1SRCBTK
SCHEMBL18099733 0.75 ABL1 (0.53) NUDT1TNK2ABL1SRCBTK
SCHEMBL31330580 0.75 TNK2 (0.40) TNK2BTK
SCHEMBL23111989 0.75 TNK2 (0.51) TNK2ABL1SRCBTK
SCHEMBL31330632 0.75 TNK2 (0.51) NUDT1TNK2ABL1SRCBTK
SCHEMBL18849916 0.73 ABL1 (0.43) NUDT1TNK2ABL1SRCBTK
SCHEMBL18849914 0.73 ABL1 (0.43) NUDT1TNK2ABL1SRCBTK

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 5 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 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 NUDT1 777/4885TNK2 2837/4885ABL1 1/4885

“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.