SCHEMBL5205486

SCHEMBL5205486

N=C(N)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
CA5A P35218 1/20 0.34
CD38 P28907 2/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
C1S P09871 2/20 0.32
GAA P10253 1/20 0.32
BACE1 P56817 1/20 0.32
PPARG P37231 1/20 0.31
GNRHR P30968 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL5203566 0.88 PKN1 (0.46) KCNK13PKN1PKN2CA5ACD38
SCHEMBL5204220 0.84 DHODH (0.43) TP53MAPTCDK1CDK4CDK2
SCHEMBL5201109 0.83 MAPT (0.35) KCNK13TP53MAPTPKN1PKN2
SCHEMBL5202059 0.81 EED (0.40) TP53MAPTPKN1PKN2CD38
SCHEMBL5201972 0.81 KCNK13 (0.42) KCNK13TP53MAPTCDK1CDK4
SCHEMBL5201022 0.81 TLR8 (0.39) KCNK13TP53MAPTCA5ACDK1
SCHEMBL5206750 0.80 PKN1 (0.41) MAPTPKN1PKN2CD38GAA
SCHEMBL5203544 0.79 TLR8 (0.41) KCNK13TP53MAPTGAAGNRHR
SCHEMBL5202583 0.79 TP53 (0.39) KCNK13TP53MAPTCDK1CDK4
SCHEMBL5200966 0.79 MAPT (0.40) KCNK13TP53MAPTCDK1CDK4

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 6 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-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 KCNK13 4531/4885TP53 3145/4885MAPT 2190/4885

“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.