SCHEMBL5203710

SCHEMBL5203710

COc1cccc2c1nc(C1CC1)n2CC=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
CXCR3 P49682 1/20 0.40
GRM2 Q14416 2/20 0.40
CASR P41180 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
DPP4 P27487 1/20 0.34
GAA P10253 1/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PKM P14618 1/20 0.34
DRD2 P14416 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL5201559 0.77 MAPK1 (0.43) TLR8GRM2CASRDRD2
SCHEMBL5201981 0.75 TLR8 (0.40) TLR8CXCR3CASRALDH1A1PIK3CA
SCHEMBL763181 0.66 TLR8 (0.51) TLR8CASR
SCHEMBL740844 0.66 CHRM1 (0.50) TLR8
SCHEMBL740843 0.66 CHRM1 (0.50) TLR8
SCHEMBL3643132 0.64 TLR8 (0.55) TLR8CXCR3GRM2CASRALDH1A1
SCHEMBL7041855 0.63 JAK2 (0.46) TLR8PARP1
SCHEMBL18547272 0.62 PIK3R1 (0.42) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL6652152 0.62 TLR8 (0.59) TLR8CXCR3CASRALDH1A1GAA
SCHEMBL5204131 0.59 TLR8 (0.38) TLR8ALDH1A1ALDH1A2ALDH2ALDH3A1

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 7 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
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 TLR8 2465/4885CXCR3 1540/4885GRM2 4526/4885

“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.