SCHEMBL5201170

SCHEMBL5201170

CN(C)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
KCNK13 Q9HB14 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
LCK P06239 1/20 0.34
HTR6 P50406 1/20 0.34
GAA P10253 1/20 0.33
GNRHR P30968 4/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
F2RL3 Q96RI0 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
SCHEMBL5202664 0.86 ALDH1A1 (0.35) TLR8MAPTTP53KCNK13ALDH1A1
SCHEMBL5203544 0.84 TLR8 (0.41) TLR8MAPTTP53KCNK13ALDH1A1
SCHEMBL5202059 0.81 EED (0.40) MAPTTP53ALDH1A1CDK1CDK4
SCHEMBL5204113 0.81 TLR8 (0.43) TLR8MAPTTP53KCNK13ALDH1A1
SCHEMBL5201972 0.80 KCNK13 (0.42) TLR8MAPTTP53KCNK13GAA
SCHEMBL5204066 0.80 MAPT (0.48) MAPTTP53KCNK13ALDH1A1MAPK1
SCHEMBL5201022 0.80 TLR8 (0.39) TLR8MAPTTP53KCNK13ALDH1A1
SCHEMBL5201969 0.80 GRM2 (0.42) MAPTTP53KCNK13ALDH1A1MAPK1
SCHEMBL5202178 0.80 AXL (0.38) MAPTTP53KCNK13ALDH1A1MAPK1
SCHEMBL5201125 0.80 TLR8 (0.43) TLR8MAPK1GNRHR

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 TLR8 2465/4885MAPT 2190/4885TP53 3145/4885

“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.