SCHEMBL5201945

SCHEMBL5201945

Cc1ccc2c(nc(-c3c(F)cccc3F)n2Cc2c(F)cccc2F)c1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
KCNK13 Q9HB14 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.33
GNRHR P30968 8/20 0.32
GAA P10253 1/20 0.32
ROCK2 O75116 1/20 0.31

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
SCHEMBL5203544 0.86 TLR8 (0.41) PDE2APDE10AMAPTTP53KCNK13
SCHEMBL5204113 0.80 TLR8 (0.43) PDE2APDE10AMAPTTP53KCNK13
SCHEMBL5202014 0.80 TSPO (0.37) PDE2APDE10AMAPTTP53ALDH1A1
SCHEMBL5201972 0.80 KCNK13 (0.42) MAPTTP53KCNK13GAA
SCHEMBL5201022 0.80 TLR8 (0.39) MAPTTP53KCNK13ALDH1A1MAPK1
SCHEMBL5204066 0.80 MAPT (0.48) PDE2APDE10AMAPTTP53KCNK13
SCHEMBL5201969 0.80 GRM2 (0.42) MAPTTP53KCNK13ALDH1A1MAPK1
SCHEMBL5201125 0.79 TLR8 (0.43) MAPK1GNRHR
SCHEMBL5201170 0.79 TLR8 (0.43) PDE2APDE10AMAPTTP53KCNK13
SCHEMBL5202178 0.79 AXL (0.38) PDE2APDE10AMAPTTP53KCNK13

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 5 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
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

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 PDE2A 2118/4885PDE10A 3846/4885MAPT 2190/4885

“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.