SCHEMBL21045535

SCHEMBL21045535

Cc1ccc(C(=O)NCC(C)(C)Cc2ccc(-c3ccc4c(cnn4C)c3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
POLQ O75417 1/20 0.41
VNN1 O95497 1/20 0.41
AR P10275 4/20 0.40
GCGR P47871 4/20 0.40
CCNC P24863 1/20 0.40
HTR2A P28223 1/20 0.40
CDK8 P49336 1/20 0.40
PASK Q96RG2 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CTSC P53634 1/20 0.39
MAOB P27338 2/20 0.38
CACNA1H O95180 2/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL21045501 0.83 KDM4E (0.50) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL21045579 0.80 WNT1 (0.45) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL21045571 0.79 NPC1 (0.46) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL29411469 0.77 PTAFR (0.48) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL21045576 0.77 PTAFR (0.48) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL21045167 0.70 WNT1 (0.44) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL29411361 0.70 POLQ (0.41) POLQKDM4E
SCHEMBL21045186 0.70 POLQ (0.41) POLQKDM4E
SCHEMBL21045371 0.69 FASN (0.52) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL29411567 0.69 FASN (0.52) WNT1CLK2CLK3GSK3BDYRK1A

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
US-20250188035-A1 TUBULIN INHIBITORS LIN BIOSCIENCE LLC (US) 2025-06-12 US disclosed
US-12247010-B2 Tubulin inhibitors LIN BIOSCIENCE INC. (TW) 2025-03-11 US disclosed
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 (5 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 WNT1 2754/4885CLK2 378/4885CLK3 1371/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB WNT1 2754/4885CLK2 378/4885CLK3 1371/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB WNT1 2754/4885CLK2 378/4885CLK3 1371/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB WNT1 2754/4885CLK2 378/4885CLK3 1371/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB WNT1 2754/4885CLK2 378/4885CLK3 1371/4885

“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.