SCHEMBL5201559

SCHEMBL5201559

COc1cccc2c1nc(C1CC1)n2Cc1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR8 Q9NR97 1/20 0.42
GRM2 Q14416 2/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
GNRHR P30968 8/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
DRD2 P14416 1/20 0.37
CASR P41180 1/20 0.37

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
SCHEMBL5201125 0.80 TLR8 (0.43) MAPK1SMN1; SMN2TLR8GNRHRCASR
SCHEMBL5203710 0.77 TLR8 (0.41) TLR8GRM2DRD2CASR
SCHEMBL7128653 0.71 GNRHR (0.40) MAPK1SMN1; SMN2TLR8GNRHR
SCHEMBL5204121 0.68 TP53 (0.44) SMN1; SMN2TLR8CASR
SCHEMBL5201720 0.67 DCTPP1 (0.51) GNRHR
SCHEMBL763181 0.67 TLR8 (0.51) TLR8ADORA2ACASR
SCHEMBL740844 0.66 CHRM1 (0.50) TLR8ADORA2A
SCHEMBL29360207 0.66 MAPK1 (0.42) MAPK1SMN1; SMN2GNRHR
SCHEMBL10212378 0.65 MAPK1 (0.63) MAPK1SMN1; SMN2
SCHEMBL16879138 0.65 SMN1; SMN2 (0.56) MAPK1SMN1; SMN2

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 MAPK1 4373/4885SMN1; SMN2 2409/4885TLR8 2465/4885

“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.