SCHEMBL21045388

SCHEMBL21045388

Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.40
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
GSK3B P49841 2/20 0.40
POLQ O75417 1/20 0.40
LMNA P02545 1/20 0.40
NAMPT P43490 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 2/20 0.39
CNR1 P21554 1/20 0.39
WNT1 P04628 1/20 0.39
CACNA1H O95180 2/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 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
SCHEMBL21045249 0.83 NAMPT (0.42) DYRK1ACLK2CLK3GSK3BLMNA
SCHEMBL21045501 0.82 KDM4E (0.50) DYRK1ACLK2CLK3GSK3BLMNA
SCHEMBL21045409 0.81 CACNA1H (0.43) DYRK1ACLK2CLK3GSK3BL3MBTL1
SCHEMBL21045480 0.81 CCNC (0.45) DYRK1ACLK2CLK3GSK3BCNR1
SCHEMBL21045167 0.81 WNT1 (0.44) DYRK1ACLK2CLK3GSK3BLMNA
SCHEMBL21045172 0.81 VNN1 (0.46) DYRK1ACLK2CLK3GSK3BLMNA
SCHEMBL29411489 0.81 VNN1 (0.46) DYRK1ACLK2CLK3GSK3BLMNA
SCHEMBL21045197 0.80 SMN1; SMN2 (0.41) DYRK1ACLK2CLK3GSK3BNAMPT
SCHEMBL21045219 0.80 ROCK2 (0.48) DYRK1ACLK2CLK3GSK3BPOLQ
SCHEMBL21045217 0.80 LMNA (0.51) LMNANPC1RAB9ASMN1; SMN2L3MBTL1

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 8 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
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 DYRK1A 2699/4885CLK2 378/4885CLK3 1371/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB DYRK1A 2699/4885CLK2 378/4885CLK3 1371/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB DYRK1A 2699/4885CLK2 378/4885CLK3 1371/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB DYRK1A 2699/4885CLK2 378/4885CLK3 1371/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB DYRK1A 2699/4885CLK2 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.