SCHEMBL5202014

SCHEMBL5202014

Cc1cc(C)c2nc(-c3c(F)cccc3F)n(Cc3c(F)cccc3F)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.37
RORC P51449 1/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 3/20 0.34
GNRHR P30968 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
ADORA2A P29274 1/20 0.32

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 0.85 TLR8 (0.41) MAPK1PDE2APDE10AMAPTTP53
SCHEMBL5201945 0.80 PDE2A (0.35) MAPK1PDE2APDE10AMAPTTP53
SCHEMBL5200987 0.80 RORC (0.50) RORCPDE2APDE10AMAPTTP53
SCHEMBL5202670 0.77 TLR8 (0.39) MAPK1MEN1KMT2APDE2APDE10A
SCHEMBL5201901 0.77 NLRP3 (0.47) RORCPDE2APDE10AMAPTTP53
SCHEMBL5204113 0.76 TLR8 (0.43) MAPK1MEN1KMT2APDE2APDE10A
SCHEMBL5201022 0.76 TLR8 (0.39) MAPK1MEN1KMT2AMAPTTP53
SCHEMBL5204066 0.76 MAPT (0.48) MAPK1MEN1KMT2APDE2APDE10A
SCHEMBL5201972 0.76 KCNK13 (0.42) MAPTTP53CDK1CDK4CDK2
SCHEMBL5201969 0.76 GRM2 (0.42) RORCMAPK1MAPTTP53ALDH1A1

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 4 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
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 TSPO 2740/4885RORC 2083/4885MAPK1 4373/4885

“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.