SCHEMBL4358063

SCHEMBL4358063

N[N+]12C=CN=CC1=C(c1ccc(C(=O)O)cc1)N=C2c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.43
CHEK2 O96017 3/20 0.39
PARP10 Q53GL7 2/20 0.38
PARP15 Q460N3 1/20 0.38
TNK2 Q07912 1/20 0.37
MCL1 Q07820 1/20 0.37
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37
BTK Q06187 1/20 0.37
PIN1 Q13526 2/20 0.35
PKM P14618 1/20 0.35
AKR1C3 P42330 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL4365325 0.93 PARP10 (0.49) CHEK2PARP10PARP15TNK2BTK
SCHEMBL1131147 0.90 NPC1 (0.34) CHEK2TNK2MCL1BTK
SCHEMBL4370412 0.90 AKR1C3 (0.42) CHEK2TNK2MCL1IP6K1IP6K3
SCHEMBL4363018 0.88 LTA4H (0.42) TNK2BTK
SCHEMBL4352081 0.86 MAOA (0.43) CHEK2TNK2BTK
SCHEMBL4353437 0.85 MAPK14 (0.36) TNK2BTK
SCHEMBL4357979 0.85 LTA4H (0.42) TNK2MCL1BTK
SCHEMBL4352476 0.85 PARP10 (0.42) CHEK2PARP10PARP15TNK2MCL1
SCHEMBL4362605 0.83 CHEK2 (0.39) CHEK2PARP10PARP15TNK2
SCHEMBL4361840 0.83 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 SRD5A2 671/4885CHEK2 1900/4885PARP10 1803/4885

“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.