SCHEMBL5201233

SCHEMBL5201233

Cc1cccc2[nH]c(-c3cccnc3)nc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 12/20 0.70
GAA P10253 12/20 0.70
SI P14410 12/20 0.70
MGAM2 Q2M2H8 12/20 0.70
PKN1 Q16512 1/20 0.61
PKN2 Q16513 1/20 0.61
KDM4E B2RXH2 3/20 0.59
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
LDHA P00338 1/20 0.59
EPHX2 P34913 1/20 0.59
CBFB Q13951 1/20 0.55
PARP1 P09874 1/20 0.54

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
SCHEMBL5201203 0.83 MGAM (1.00) MGAMGAASIMGAM2PKN1
SCHEMBL5074029 0.82 MGAM (0.76) MGAMGAASIMGAM2KDM4E
SCHEMBL30615069 0.82 MGAM (0.76) MGAMGAASIMGAM2KDM4E
SCHEMBL19662789 0.82 PKN1 (0.61) MGAMGAASIMGAM2PKN1
SCHEMBL7477311 0.82 PKN1 (0.65) MGAMGAASIMGAM2PKN1
SCHEMBL19643484 0.82 PKN1 (0.61) MGAMGAASIMGAM2PKN1
SCHEMBL24368227 0.81 PKN1 (0.61) MGAMGAASIMGAM2PKN1
SCHEMBL21237321 0.81 PKN1 (0.57) MGAMGAASIMGAM2PKN1
SCHEMBL1170892 0.80 MGAM (0.71) MGAMGAASIMGAM2CBFB
SCHEMBL6056826 0.78 MGAM (0.77) MGAMGAASIMGAM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 WO disclosed
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.