SCHEMBL26453331

SCHEMBL26453331

CC(C)(C)c1ccc2c(n1)C(=O)NC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.38
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.33
▸ DYRK1B Q9Y463 2/20 0.33
▸ NTRK2 Q16620 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ BRAF P15056 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ MET P08581 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MAP2K2 P36507 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ MST1R Q04912 1/20 0.32

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
SCHEMBL31310202 0.87 PARP1 (0.36) PARP1CA12CA9CLK4DYRK1B
SCHEMBL31310141 0.83 PARP1 (0.38) PARP1CA12CA9CLK4DYRK1B
SCHEMBL27384245 0.77 PARP1 (0.41) PARP1CA12CA9CLK4DYRK1B
SCHEMBL38651043 0.77 PARP1 (0.41) PARP1CA12CA9CLK4DYRK1B
SCHEMBL27965928 0.76 PARP1 (0.35) PARP1CA12CA9CLK4DYRK1B
SCHEMBL38651010 0.75 DPP4 (0.34) PARP1CA12CA9CLK4DYRK1B
SCHEMBL20104801 0.73 NTRK2 (0.41) PARP1CA12CA9CLK4DYRK1B
SCHEMBL29226365 0.73 PARP1 (0.41) PARP1CA12CA9CLK4DYRK1B
SCHEMBL29338632 0.72 PARP1 (0.38) PARP1CA12CA9CLK4DYRK1B
SCHEMBL29338695 0.72 PARP1 (0.38) PARP1CA12CA9CLK4DYRK1B

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
CN-122010928-A PCSK9 inhibitor and application thereof 江苏柯菲平医药股份有限公司 2026-05-12 — — CN disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 — — US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 — — 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 (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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 PARP1 2626/4885CA12 4800/4885CA9 4384/4885

“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.

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