SCHEMBL5203566

SCHEMBL5203566

NC(=O)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
CD38 P28907 7/20 0.45
PARP1 P09874 9/20 0.42
CA5A P35218 1/20 0.41
CYP3A4 P08684 2/20 0.40
KCNH2 Q12809 1/20 0.40
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
KCNK13 Q9HB14 1/20 0.36

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
SCHEMBL5204220 0.89 DHODH (0.43) CDK1CDK4CDK2
SCHEMBL5205486 0.88 KCNK13 (0.36) PKN1PKN2CD38CA5ACDK1
SCHEMBL5202059 0.86 EED (0.40) PKN1PKN2CD38CDK1CDK4
SCHEMBL5206750 0.85 PKN1 (0.41) PKN1PKN2CD38
SCHEMBL5201109 0.83 MAPT (0.35) PKN1PKN2CD38CDK1CDK4
SCHEMBL5202503 0.82 GNRHR (0.35) PKN1PKN2CD38CDK1CDK4
SCHEMBL5201972 0.81 KCNK13 (0.42) CDK1CDK4CDK2KCNK13
SCHEMBL5201022 0.81 TLR8 (0.39) CA5ACDK1CDK4CDK2KCNK13
SCHEMBL5203544 0.79 TLR8 (0.41) KCNK13
SCHEMBL5202583 0.79 TP53 (0.39) CDK1CDK4CDK2KCNK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210336-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US HEALTH (US) 2007-04-25 EP disclosed
US-6894068-B2 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-17 US disclosed
US-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase MICHEJDA CHRISTOPHER J (US) 2003-10-09 US disclosed
EP-1210336-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) 2002-06-05 EP disclosed
US-6369235-B1 INHIBITORS OF HIV REVERSE TRANSCRIPTION FOR TREATMENT OF AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-09 US disclosed
WO-2001014343-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-01 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-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase SAMHD1, DUT, TYMP PKN1 2649/4885PKN2 2724/4885CD38 366/4885

“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.