SCHEMBL4352044

SCHEMBL4352044

N[N+]12C=CN=CC1=C(C1=CC=C1)N=C2c1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.37
TTBK1 Q5TCY1 2/20 0.33
LTA4H P09960 1/20 0.33
TNK2 Q07912 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
ADORA2A P29274 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BTK Q06187 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
KIF11 P52732 1/20 0.31
TEAD1 P28347 1/20 0.31
CDK8 P49336 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
SCHEMBL4364234 0.89 SCN9A (0.35) TNK2BTKPPARG
SCHEMBL4357998 0.88 MGLL (0.32) TNK2MGLL
SCHEMBL1129219 0.87 MAOB (0.36) CHEK2LTA4HMAPTALDH1A1
SCHEMBL13504709 0.86 SMN1; SMN2 (0.38) TTBK1TNK2TTBK2MGLLALDH1A1
SCHEMBL4358455 0.86 FFAR4 (0.34) TNK2
SCHEMBL4354313 0.86 CHEK2 (0.34) CHEK2TTBK1TNK2MGLL
SCHEMBL4364440 0.86 ALDH1A1 (0.38) TTBK1TNK2TTBK2L3MBTL1BTK
SCHEMBL4364297 0.85
SCHEMBL4363046 0.85 CHEK2 (0.32) CHEK2
SCHEMBL1129343 0.84

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 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
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 CHEK2 1900/4885TTBK1 1604/4885LTA4H 4152/4885

“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.