SCHEMBL839893

SCHEMBL839893

Clc1cccnc1-n1ncc2c(Cl)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.54
CYP1A2 P05177 1/20 0.54
GCK P35557 19/20 0.45
KCNH2 Q12809 11/20 0.43

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
SCHEMBL10272234 0.86 CYP17A1 (0.52) CYP17A1CYP1A2GCKKCNH2
SCHEMBL838627 0.86 CYP17A1 (0.49) CYP17A1CYP1A2
SCHEMBL839952 0.80 MAPK14 (0.47) CYP1A2GCKKCNH2
SCHEMBL12000878 0.80 ALDH1A1 (0.41) CYP1A2
SCHEMBL839210 0.79 GCK (0.47) CYP1A2GCKKCNH2
SCHEMBL839539 0.78 XDH (0.38) CYP17A1CYP1A2
SCHEMBL840321 0.78 GSK3B (0.52) CYP17A1CYP1A2
SCHEMBL838336 0.77 TP53 (0.41) CYP17A1CYP1A2
SCHEMBL6071536 0.77 GSK3B (0.54) CYP17A1CYP1A2
SCHEMBL838829 0.77 P2RX7 (0.46) GCK

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 CYP17A1 1126/4885CYP1A2 3364/4885GCK 1/4885

“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.