SCHEMBL21045196

SCHEMBL21045196

Cc1ncccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ncc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.49
ROCK1 Q13464 5/20 0.49
ESR1 P03372 1/20 0.43
KDM4B O94953 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
PTAFR P25105 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 1/20 0.41
CLK1 P49759 2/20 0.41
DYRK3 O43781 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41

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
SCHEMBL29411659 1.00 ROCK2 (0.49) ROCK2ROCK1ESR1KDM4BSMN1; SMN2
SCHEMBL21045121 0.87 SMN1; SMN2 (0.43) ROCK2ROCK1KDM4BSMN1; SMN2HPGD
SCHEMBL21045402 0.86 KDM4B (0.46) ROCK2ROCK1KDM4BSMN1; SMN2HPGD
SCHEMBL29411607 0.86 KDM4B (0.46) ROCK2ROCK1KDM4BSMN1; SMN2HPGD
SCHEMBL21045077 0.84 POLB (0.43) ROCK2ROCK1KDM4BSMN1; SMN2HPGD
SCHEMBL21045413 0.83 PDK1 (0.43) ROCK2ROCK1SMN1; SMN2HPGDNPC1
SCHEMBL29411610 0.83 KDM4E (0.51) ROCK2ROCK1PTAFRMAPK1GSK3B
SCHEMBL21045238 0.83 KDM4E (0.51) ROCK2ROCK1PTAFRMAPK1GSK3B
SCHEMBL21045126 0.81 FLT3 (0.54)
SCHEMBL21045197 0.80 SMN1; SMN2 (0.41) ROCK2ROCK1KDM4BSMN1; SMN2HPGD

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 ROCK2 344/4885ROCK1 277/4885ESR1 4646/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB ROCK2 344/4885ROCK1 277/4885ESR1 4646/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB ROCK2 344/4885ROCK1 277/4885ESR1 4646/4885

“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.