SCHEMBL5202196

SCHEMBL5202196

COc1ccc(-c2nc3c(N)cccc3n2Cc2c(F)cccc2F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.39
ADORA1 P30542 8/20 0.39
GNRHR P30968 7/20 0.39
CD274 Q9NZQ7 1/20 0.39
CSF1R P07333 1/20 0.38
CHRNA7 P36544 1/20 0.37
BUB1 O43683 1/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL5207055 0.83 DCTPP1 (0.56) ADORA2AADORA1GNRHRADORA3
SCHEMBL7128653 0.79 GNRHR (0.40) GNRHR
SCHEMBL5201972 0.78 KCNK13 (0.42) ADORA2AADORA1
SCHEMBL5201125 0.70 TLR8 (0.43) GNRHR
SCHEMBL7883265 0.67 PSEN1 (0.46) ADORA2AADORA1
SCHEMBL5203923 0.67 MAPT (0.39) ADORA2AADORA1GNRHRBUB1PDE2A
SCHEMBL5203544 0.67 TLR8 (0.41) GNRHRPDE2APDE10A
SCHEMBL5207236 0.66 ALDH1A1 (0.40) GNRHRBUB1
SCHEMBL5204661 0.65 GNRHR (0.41) GNRHR
SCHEMBL5202583 0.64 TP53 (0.39) ADORA2AADORA1

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 ADORA2A 2283/4885ADORA1 1659/4885GNRHR 4544/4885

“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.