SCHEMBL21045491

SCHEMBL21045491

Cc1cc(C(=O)NCCCc2cccc(-c3ccc4ncccc4c3)c2)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4B O94953 1/20 0.46
DYRK1A Q13627 2/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PTAFR P25105 2/20 0.42
TGFBR1 P36897 4/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PIK3CA P42336 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL29411578 1.00 KDM4B (0.46) KDM4BDYRK1ACLK1CLK2CLK4
SCHEMBL21045362 0.93 DYRK1A (0.45) KDM4BDYRK1ACLK1CLK2CLK4
SCHEMBL21045208 0.84 PTAFR (0.52) PTAFRKDM4ECTSVCTSLCTSS
SCHEMBL29411529 0.84 PTAFR (0.52) PTAFRKDM4ECTSVCTSLCTSS
SCHEMBL21045206 0.84 PTAFR (0.46) PTAFRPOLBKDM4ECTSVCTSL
SCHEMBL29411369 0.84 PTAFR (0.46) PTAFRPOLBKDM4ECTSVCTSL
SCHEMBL29411479 0.83 PTAFR (0.40) DYRK1ACLK2PTAFRCTSVCTSL
SCHEMBL21045187 0.83 PTAFR (0.40) DYRK1ACLK2PTAFRCTSVCTSL
SCHEMBL21045250 0.82 PTAFR (0.52) KDM4BPTAFRKDM4E
SCHEMBL29411440 0.82 PTAFR (0.52) KDM4BPTAFRKDM4E

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
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 US disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 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 (3 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-20220089539-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB KDM4B 3964/4885DYRK1A 2699/4885CLK1 872/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB KDM4B 3964/4885DYRK1A 2699/4885CLK1 872/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB KDM4B 3964/4885DYRK1A 2699/4885CLK1 872/4885

“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.