SCHEMBL5201203

SCHEMBL5201203

Cc1cccc2[nH]c(-c3ccncc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 9/20 1.00
GAA P10253 9/20 1.00
SI P14410 9/20 1.00
MGAM2 Q2M2H8 9/20 1.00
HPSE Q9Y251 1/20 0.59
CBFB Q13951 1/20 0.59
PKN1 Q16512 6/20 0.58
PKN2 Q16513 6/20 0.58
PLK4 O00444 1/20 0.58
MAPK13 O15264 1/20 0.58
DYRK3 O43781 1/20 0.58
ROCK2 O75116 1/20 0.58
RPS6KA5 O75582 1/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
CHEK2 O96017 1/20 0.58
PIM1 P11309 1/20 0.58
PHKG2 P15735 1/20 0.58
PRKACA P17612 1/20 0.58
RPS6KB1 P23443 1/20 0.58

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
SCHEMBL30615069 0.86 MGAM (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL5074029 0.86 MGAM (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL6056826 0.85 MGAM (0.77) MGAMGAASIMGAM2HPSE
SCHEMBL1170892 0.84 MGAM (0.71) MGAMGAASIMGAM2CBFB
SCHEMBL5201233 0.83 MGAM (0.70) MGAMGAASIMGAM2HPSE
SCHEMBL10695650 0.82 MGAM (1.00) MGAMGAASIMGAM2HPSE
SCHEMBL13133302 0.82 MGAM (1.00) MGAMGAASIMGAM2HPSE
SCHEMBL6325053 0.82 GAA (0.72) MGAMGAASIMGAM2HPSE
SCHEMBL2124325 0.82 MGAM (0.69) MGAMGAASIMGAM2HPSE
SCHEMBL1128986 0.82 MGAM (0.72) MGAMGAASIMGAM2HPSE

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
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-0963371-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US GOV HEALTH & HUMAN SERV (US) 2003-05-02 EP 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
EP-0963371-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) 1999-12-15 EP disclosed
WO-1998037072-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-27 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 MGAM 1525/4885GAA 236/4885SI 1469/4885

“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.