SCHEMBL22055331

SCHEMBL22055331

Cc1cc(Nc2nc(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC#N)cc3ncccc23)n[nH]1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.88
▸ JAK3 P52333 19/20 0.88
▸ JAK1 P23458 14/20 0.88
▸ JAK2 O60674 12/20 0.88
▸ P2RX3 P56373 1/20 0.57
▸ P2RX2 Q9UBL9 1/20 0.57

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
SCHEMBL23878986 1.00 TYK2 (0.88) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL30227562 1.00 TYK2 (0.88) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL24995642 1.00 TYK2 (0.88) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL21229638 0.94 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL21574323 0.94 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL18269687 0.94 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL24594552 0.94 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL24594577 0.94 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL18260453 0.94 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL29509287 0.94 TYK2 (1.00) 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 5 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
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 88/4885JAK1 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.

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