SCHEMBL23588632

SCHEMBL23588632

Cc1ccc2cc[nH]c(=O)c2c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 8/20 0.42
▸ JAK2 O60674 6/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ MELK Q14680 1/20 0.42
▸ STK24 Q9Y6E0 1/20 0.42
▸ TYK2 P29597 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ KCNH2 Q12809 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31

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
SCHEMBL24338048 0.81 CHEK1 (0.45) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL13659491 0.78 CHEK1 (0.47) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL29848882 0.77 PARP1 (0.33) PARP1HPGDPDE3BPDE3A
SCHEMBL21050776 0.75 CHEK1 (0.45) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL20314844 0.74 TNF (0.37) —
SCHEMBL24854119 0.72 CHEK1 (0.42) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL168637 0.71 JAK2 (0.61) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL21099997 0.70 JAK2 (0.56) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL23588625 0.70 PARP1 (0.57) CHEK1RPS6KA3PARP1
SCHEMBL15830721 0.70 TSHR (0.46) CHEK1JAK2RPS6KA3MELKSTK24

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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 — — US disclosed
EP-4130000-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-02-08 — — EP disclosed
WO-2021129820-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND 微境生物医药科技(上海)有限公司 2021-07-01 — — 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR CHEK1 415/4885JAK2 451/4885RPS6KA3 1457/4885

“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