SCHEMBL13659491

SCHEMBL13659491

Cc1ccc2cc[nH]c(=O)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 10/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ MELK Q14680 1/20 0.47
▸ STK24 Q9Y6E0 1/20 0.47
▸ PARP1 P09874 2/20 0.39
▸ TSHR P16473 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL21050776 0.81 CHEK1 (0.45) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL23137414 0.81 CHEK1 (0.49) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL23588632 0.78 CHEK1 (0.42) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL24854119 0.78 CHEK1 (0.42) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL168637 0.76 JAK2 (0.61) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL15830721 0.75 TSHR (0.46) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL791101 0.73 — —
SCHEMBL1538418 0.72 TSHR (0.48) TSHRCYP1A2CYP2A6TDP2NSD2
SCHEMBL13659507 0.72 JAK2 (0.43) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL3691814 0.71 KDM4E (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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-09-22 — — US disclosed
EP-4011886-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-06-15 — — 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
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 — — WO disclosed
WO-2021023154-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-02-11 — — WO disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 — — 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 (2 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A CHEK1 1/4885JAK2 1085/4885RPS6KA3 1455/4885
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS CHEK1 1570/4885JAK2 145/4885RPS6KA3 1412/4885

“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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