SCHEMBL5200987

SCHEMBL5200987

Cc1ccc2nc(-c3c(F)cccc3F)n(Cc3c(F)cccc3F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.50
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
TP53 P04637 5/20 0.42
MAPT P10636 4/20 0.42
TLR8 Q9NR97 1/20 0.39
GAA P10253 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
SOS1 Q07889 1/20 0.39
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KCNH2 Q12809 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL5201901 0.89 NLRP3 (0.47) RORCTP53MAPTTLR8GAA
SCHEMBL5201783 0.85 PDE2A (0.47) RORCCDK1CDK4CDK2TP53
SCHEMBL5201134 0.83 TP53 (0.57) TP53MAPTGAAPDE2APDE10A
SCHEMBL5202014 0.80 TSPO (0.37) RORCCDK1CDK4CDK2TP53
SCHEMBL13295657 0.78 TP53 (0.42) TP53MAPTGAACYP11B2
SCHEMBL5204267 0.77 PDE2A (0.56) CDK1CDK4CDK2TP53MAPT
SCHEMBL5204739 0.77 MAPT (0.44) CDK1CDK4CDK2TP53MAPT
SCHEMBL13295656 0.76 BRD4 (0.47) CDK2TP53MAPTGAA
SCHEMBL5203541 0.75 TLR8 (0.41) TP53MAPTTLR8GAAPDE2A
SCHEMBL5203544 0.75 TLR8 (0.41) TP53MAPTTLR8GAAPDE2A

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 RORC 2083/4885CDK1 566/4885CDK4 171/4885

“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.