SCHEMBL21045480

SCHEMBL21045480

Cc1cncc(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.45
CDK8 P49336 6/20 0.45
CNR1 P21554 1/20 0.45
CACNA1H O95180 2/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
FAAH O00519 2/20 0.40
PTAFR P25105 2/20 0.39
CTSC P53634 1/20 0.38
WNT1 P04628 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
AR P10275 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
HTR2A P28223 1/20 0.38
PASK Q96RG2 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
SCHEMBL21045217 0.85 LMNA (0.51) CCNCCDK8CNR1CACNA1HCACNA1G
SCHEMBL21045409 0.84 CACNA1H (0.43) CCNCCDK8CNR1CACNA1HCACNA1G
SCHEMBL21045172 0.84 VNN1 (0.46) CCNCCDK8CACNA1HCACNA1GCACNA1I
SCHEMBL29411489 0.84 VNN1 (0.46) CCNCCDK8CACNA1HCACNA1GCACNA1I
SCHEMBL29411434 0.84 NPC1 (0.53) CNR1FAAH
SCHEMBL21045452 0.84 NPC1 (0.53) CNR1FAAH
SCHEMBL21045501 0.83 KDM4E (0.50) CCNCCDK8PTAFRWNT1CLK2
SCHEMBL21045388 0.81 DYRK1A (0.40) CCNCCDK8CNR1CACNA1HCACNA1G
SCHEMBL21045167 0.80 WNT1 (0.44) CCNCCDK8CACNA1HCACNA1GCACNA1I
SCHEMBL21045197 0.80 SMN1; SMN2 (0.41) CNR1PTAFRWNT1CLK2CLK3

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 CCNC 894/4885CDK8 407/4885CNR1 4572/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB CCNC 894/4885CDK8 407/4885CNR1 4572/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB CCNC 894/4885CDK8 407/4885CNR1 4572/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB CCNC 894/4885CDK8 407/4885CNR1 4572/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB CCNC 894/4885CDK8 407/4885CNR1 4572/4885

“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.