SCHEMBL22054963

SCHEMBL22054963

Cc1cc(Nc2nc(N[C@@H]3C[C@H]4CC[C@@H](C3)N4C(=O)c3ccccn3)nc3ccccc23)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 15/20 0.56
▸ JAK3 P52333 15/20 0.56
▸ JAK2 O60674 13/20 0.56
▸ JAK1 P23458 13/20 0.56
▸ AURKA O14965 2/20 0.52
▸ SRC P12931 2/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ AURKB Q96GD4 2/20 0.47
▸ P2RX3 P56373 1/20 0.47
▸ P2RX2 Q9UBL9 1/20 0.47
▸ NTRK1 P04629 1/20 0.47

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
SCHEMBL23878843 1.00 TYK2 (0.56) TYK2JAK3JAK2JAK1AURKA
SCHEMBL22055257 0.89 AURKA (0.49) TYK2JAK3JAK2JAK1AURKA
SCHEMBL23878992 0.88 AURKA (0.59) TYK2JAK3JAK2JAK1AURKA
SCHEMBL23878801 0.88 JAK2 (0.53) TYK2JAK3JAK2JAK1AURKA
SCHEMBL22054016 0.88 JAK2 (0.53) TYK2JAK3JAK2JAK1AURKA
SCHEMBL30255661 0.88 AURKA (0.58) TYK2JAK3JAK2JAK1AURKA
SCHEMBL24071710 0.86 AURKA (0.46) TYK2JAK3JAK2JAK1AURKA
SCHEMBL22054022 0.86 TYK2 (0.53) TYK2JAK3JAK2JAK1AURKA
SCHEMBL23878926 0.86 TYK2 (0.53) TYK2JAK3JAK2JAK1AURKA
SCHEMBL23878886 0.85 JAK3 (0.48) TYK2JAK3JAK2JAK1GSK3B

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-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
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
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 88/4885JAK2 19/4885

“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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