SCHEMBL29411420

SCHEMBL29411420

COc1cccc(-c2ccc(CCCNC(=O)c3cnc4cc(C)nn4c3)cc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
LMNA P02545 1/20 0.39
PTAFR P25105 3/20 0.39
HIF1A Q16665 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL21045108 1.00 FYN (0.40) FYNCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29411428 0.87 LMNA (0.43) CYP3A4LMNAHIF1A
SCHEMBL21045521 0.87 LMNA (0.43) CYP3A4LMNAHIF1A
SCHEMBL21045432 0.84 KDM4E (0.49) FYNROCK2ROCK1PTAFRHIF1A
SCHEMBL29411462 0.84 KDM4E (0.49) FYNROCK2ROCK1PTAFRHIF1A
SCHEMBL21045093 0.81 HDAC3 (0.43) FYNCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29411374 0.81 HDAC3 (0.43) FYNCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21045146 0.79 PTAFR (0.46) FYNROCK2ROCK1PTAFRHIF1A
SCHEMBL29411571 0.79 PTAFR (0.46) FYNROCK2ROCK1PTAFRHIF1A
SCHEMBL21045275 0.77 PTAFR (0.48) FYNROCK2ROCK1PTAFREGLN1

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 3 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

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 FYN 2141/4885CYP1A2 3826/4885CYP3A4 3925/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB FYN 2141/4885CYP1A2 3826/4885CYP3A4 3925/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB FYN 2141/4885CYP1A2 3826/4885CYP3A4 3925/4885

“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.