SCHEMBL838336

SCHEMBL838336

Cc1ncccc1-n1ncc2c(Cl)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.41
LMNA P02545 6/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 4/20 0.40
SLC2A1 P11166 4/20 0.40
SLC2A2 P11168 4/20 0.40
SLC2A3 P11169 3/20 0.40
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
XDH P47989 1/20 0.39
HIF1A Q16665 1/20 0.39
STAT3 P40763 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL839657 0.83 SLC2A1 (0.54) TP53LMNARAB9AMAPTSLC2A1
SCHEMBL3424926 0.81 TP53 (0.54) TP53LMNARAB9AMAPTSLC2A1
SCHEMBL839442 0.81 TP53 (0.46) TP53LMNARAB9AMAPTSLC2A1
SCHEMBL838627 0.81 CYP17A1 (0.49) TP53LMNARAB9AMAPTSLC2A1
SCHEMBL839210 0.80 GCK (0.47) TP53LMNARAB9AMAPTSLC2A1
SCHEMBL838678 0.78 TP53 (0.44) TP53LMNARAB9AMAPTSLC2A1
SCHEMBL839539 0.78 XDH (0.38) TP53LMNARAB9AMAPTALDH1A1
SCHEMBL838498 0.78 RAB9A (0.46) TP53LMNARAB9AMAPTGSK3B
SCHEMBL838694 0.78 CYP17A1 (0.46) TP53LMNARAB9AMAPTGSK3B
SCHEMBL25975269 0.78 MAPT (0.53) TP53LMNARAB9AMAPTSLC2A1

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.