SCHEMBL5205094

SCHEMBL5205094

Cc1cccc2c1ncn2Cc1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
AXL P30530 2/20 0.44
MERTK Q12866 2/20 0.44
FLT3 P36888 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TYRO3 Q06418 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PKM P14618 1/20 0.42
CYP17A1 P05093 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 3/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39

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
SCHEMBL17987142 0.78 CYP11B1 (0.69) MEN1KMT2AMAPK1CYP11B1CYP11B2
SCHEMBL229001 0.78 LMNA (0.59) MEN1KMT2ACYP11B1CYP11B2CYP1A2
SCHEMBL10129568 0.77 CYP17A1 (0.45) MEN1KMT2AMAPK1CYP11B1CYP11B2
SCHEMBL5273991 0.76 CYP11B1 (0.60) MEN1KMT2AMAPK1CYP11B1CYP11B2
SCHEMBL19911313 0.76 CYP11B1 (0.41) MEN1KMT2AMAPK1CYP11B1CYP11B2
SCHEMBL19848066 0.74 TLR8 (0.43) CYP11B1CYP11B2ADORA2AADORA1CYP17A1
SCHEMBL5203544 0.74 TLR8 (0.41) MAPK1PKMALDH1A1LMNAHTT
SCHEMBL20428044 0.74 CYP11B1 (0.55) MEN1KMT2ACYP11B1CYP11B2CYP1A2
SCHEMBL19848365 0.73 TRPM5 (0.42) MEN1KMT2AMAPK1CYP11B1CYP11B2
SCHEMBL9570033 0.73 TDP1 (0.44) MEN1KMT2AMAPK1CYP11B1CYP11B2

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 9 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
EP-0963371-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) 1999-12-15 EP disclosed
WO-1998037072-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-27 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 MEN1 4883/4885KMT2A 402/4885MAPK1 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.