SCHEMBL21030592

SCHEMBL21030592

c1cc(-c2ccc(-c3c4ccccc4nc4c3sc3ccccc34)cc2)nc(-c2cc(-c3cccc4sc5c(-c6ccc(-c7ccc8ccc9cccnc9c8n7)cc6)c6ccccc6nc5c34)ccn2)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.34
LIMK1 P53667 1/20 0.32
TOP1 P11387 2/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL21032091 0.86 KRAS (0.38) KRASLIMK1TOP1
SCHEMBL25847629 0.81 TOP1 (0.38) KRASTOP1CDK2GSK3B
SCHEMBL25847372 0.80 KRAS (0.47) KRASLIMK1
SCHEMBL21031436 0.79 TOP1 (0.35) KRASLIMK1TOP1CDK2GSK3B
SCHEMBL21031396 0.79 PRKDC (0.33) TOP1
SCHEMBL21031437 0.78 KRAS (0.41) KRASLIMK1TOP1
SCHEMBL21030692 0.78 TNKS (0.38) KRASLIMK1
SCHEMBL21032364 0.78 LMNA (0.36) KRASLIMK1TOP1
SCHEMBL21032020 0.77 KRAS (0.34) KRASLIMK1
SCHEMBL25847630 0.75 PARP1 (0.35) KRASLIMK1PDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2019-05-30 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 (2 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-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes KCNQ2, KCNQ1, KCNQ4 KRAS 3523/4885LIMK1 1827/4885TOP1 3497/4885
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES KCNQ2, KCNQ1, KCNQ4 KRAS 3523/4885LIMK1 1827/4885TOP1 3497/4885

“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.