SCHEMBL4361491

SCHEMBL4361491

N[N+]12C=CN=CC1=C(c1cn[nH]c1)N=C2c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
TNK2 Q07912 1/20 0.37
AKT2 P31751 2/20 0.35
AKT1 P31749 1/20 0.35
LTA4H P09960 2/20 0.33
NPC1 O15118 1/20 0.33
SCN4A P35499 1/20 0.33
RAB9A P51151 1/20 0.33
XDH P47989 1/20 0.31
PRMT5 O14744 1/20 0.31
ROCK1 Q13464 1/20 0.30
CHEK2 O96017 1/20 0.30
ROCK2 O75116 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
SCHEMBL1131147 0.87 NPC1 (0.34) BTKTNK2LTA4HNPC1SCN4A
SCHEMBL4540501 0.85 TNK2 (0.37) TNK2LTA4HNPC1SCN4ARAB9A
SCHEMBL4352081 0.84 MAOA (0.43) BTKTNK2NPC1RAB9AXDH
SCHEMBL4353437 0.83 MAPK14 (0.36) BTKTNK2LTA4HNPC1SCN4A
SCHEMBL4363018 0.83 LTA4H (0.42) BTKTNK2LTA4HNPC1SCN4A
SCHEMBL4357979 0.83 LTA4H (0.42) BTKTNK2LTA4HNPC1RAB9A
SCHEMBL4368939 0.82 TNK2 (0.43) BTKTNK2LTA4HNPC1SCN4A
SCHEMBL4358063 0.80 SRD5A2 (0.43) BTKTNK2CHEK2
SCHEMBL4362605 0.80 CHEK2 (0.39) TNK2CHEK2
SCHEMBL4361840 0.80 TNK2 (0.37) TNK2

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 BTK 39/4885TNK2 2837/4885AKT2 2941/4885

“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.