SCHEMBL24738238

SCHEMBL24738238

COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)ccc4n3)ncn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ DGAT2 Q96PD7 7/20 0.40
▸ ITK Q08881 2/20 0.40
▸ METTL3 Q86U44 1/20 0.39
▸ MGAT2 Q10469 2/20 0.38
▸ KLKB1 P03952 2/20 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
SCHEMBL29879604 1.00 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24737770 0.92 METTL3 (0.43) METTL3KLKB1
SCHEMBL29305492 0.92 METTL3 (0.43) METTL3KLKB1
SCHEMBL24738305 0.89 ITK (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29136883 0.88 KLKB1 (0.42) METTL3KLKB1
SCHEMBL29304970 0.88 KLKB1 (0.42) METTL3KLKB1
SCHEMBL24738237 0.88 METTL3 (0.40) METTL3KLKB1
SCHEMBL29136982 0.88 KLKB1 (0.42) METTL3KLKB1
SCHEMBL29136881 0.88 KLKB1 (0.42) METTL3KLKB1
SCHEMBL29879679 0.88 KLKB1 (0.42) METTL3KLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO 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 (1 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 TUBB4A 3469/4885TUBB 3548/4885TUBA3C 2991/4885

“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.

Send feedback