SCHEMBL839998

SCHEMBL839998

Cc1ccc(Br)cc1-n1ncc2c(O)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 12/20 0.47
LMNA P02545 9/20 0.46
RAB9A P51151 2/20 0.44
MAPT P10636 5/20 0.43
POLB P06746 1/20 0.42
PIP4K2A P48426 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
ALPL P05186 1/20 0.41

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
SCHEMBL838153 0.86 RAB9A (0.55) TP53LMNARAB9AMAPTPIP4K2A
SCHEMBL25342676 0.82 CYP17A1 (0.41) TP53LMNARAB9AMAPTPIP4K2A
SCHEMBL839756 0.81 XDH (0.46) TP53LMNARAB9AMAPTPOLB
SCHEMBL850157 0.81 TP53 (0.45) TP53LMNARAB9AMAPTPOLB
SCHEMBL839746 0.78 GSK3B (0.45) TP53LMNARAB9APIP4K2AKDM4E
SCHEMBL838447 0.76 RAB9A (0.40) TP53LMNARAB9AMAPTPIP4K2A
SCHEMBL6204755 0.76 GSK3B (0.54) TP53LMNARAB9AMAPTKDM4E
SCHEMBL849766 0.75 MAPT (0.46) TP53LMNARAB9AMAPTKDM4E
SCHEMBL838986 0.74 RAB9A (0.41) TP53LMNARAB9AMAPTPIP4K2A
SCHEMBL25342311 0.74 RAB9A (0.41) TP53LMNARAB9AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 TP53 4297/4885LMNA 3530/4885RAB9A 3239/4885

“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.