SCHEMBL22054952

SCHEMBL22054952

Cc1cc(Nc2nc(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)c3nccn3C)nc3sccc23)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.45
▸ JAK3 P52333 17/20 0.45
▸ JAK1 P23458 12/20 0.45
▸ JAK2 O60674 10/20 0.45
▸ P2RX3 P56373 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40
▸ PLK4 O00444 2/20 0.39
▸ PAK4 O96013 2/20 0.39
▸ BRD4 O60885 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
SCHEMBL30255561 1.00 TYK2 (0.45) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23889609 0.89 PAK4 (0.37) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22054002 0.89 PAK1 (0.45) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23878799 0.89 PAK1 (0.45) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22054951 0.87 TYK2 (0.45) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23878762 0.87 TYK2 (0.45) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23879004 0.86 TYK2 (0.47) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL30147242 0.86 TYK2 (0.48) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23879074 0.86 JAK3 (0.48) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22055066 0.86 JAK3 (0.48) TYK2JAK3JAK1JAK2P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 — — US disclosed
WO-2021238908-A1 SALT AND CRYSTAL FORM OF HETEROARYL DERIVATIVE, AND PREPARATION METHOD THEREFOR 上海翰森生物医药科技有限公司 2021-12-02 — — WO disclosed
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 — — EP disclosed
WO-2020108613-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2020-06-04 — — 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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB TYK2 105/4885JAK3 88/4885JAK1 12/4885

“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