SCHEMBL21045482

SCHEMBL21045482

Cc1cc2ncc(C(=O)NCCCc3ccc(-c4ccc5c(cnn5C)c4)cc3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
WNT1 P04628 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
TP53 P04637 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CACNA1H O95180 2/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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 0.85 KDM4E (0.50) LMNAWNT1CLK2CLK3GSK3B
SCHEMBL21045409 0.82 CACNA1H (0.43) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL21045167 0.82 WNT1 (0.44) LMNAWNT1CLK2CLK3GSK3B
SCHEMBL21045313 0.81 FLT3 (0.47) CDK8
SCHEMBL29411489 0.80 VNN1 (0.46) LMNAWNT1CLK2CLK3GSK3B
SCHEMBL21045172 0.80 VNN1 (0.46) LMNAWNT1CLK2CLK3GSK3B
SCHEMBL21045521 0.79 LMNA (0.43) LMNARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL29411428 0.79 LMNA (0.43) LMNARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL21045480 0.78 CCNC (0.45) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL21045576 0.77 PTAFR (0.48) LMNAWNT1CLK2CLK3GSK3B

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 6 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-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 LMNA 2547/4885WNT1 2754/4885CLK2 378/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB LMNA 2547/4885WNT1 2754/4885CLK2 378/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB LMNA 2547/4885WNT1 2754/4885CLK2 378/4885

“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.