SCHEMBL22053998

SCHEMBL22053998

CNCC(=O)N1[C@@H]2CCC[C@H]1C[C@H](Nc1nc(Nc3cc(C)[nH]n3)c3sccc3n1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.49
▸ JAK3 P52333 13/20 0.49
▸ JAK1 P23458 12/20 0.49
▸ JAK2 O60674 10/20 0.49
▸ PAK1 Q13153 4/20 0.48
▸ DYRK3 O43781 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ MET P08581 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ FLT1 P17948 1/20 0.42

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
SCHEMBL23878772 1.00 TYK2 (0.49) TYK2JAK3JAK1JAK2PAK1
SCHEMBL30147256 1.00 TYK2 (0.49) TYK2JAK3JAK1JAK2PAK1
SCHEMBL24996388 0.92 JAK3 (0.48) TYK2JAK3JAK1JAK2PAK1
SCHEMBL23878952 0.88 TYK2 (0.49) TYK2JAK3JAK1JAK2PAK4
SCHEMBL22054218 0.88 TYK2 (0.49) TYK2JAK3JAK1JAK2PAK4
SCHEMBL30146792 0.88 TYK2 (0.49) TYK2JAK3JAK1JAK2PAK4
SCHEMBL23878761 0.87 JAK3 (0.53) TYK2JAK3JAK1JAK2PAK1
SCHEMBL22054000 0.87 JAK3 (0.53) TYK2JAK3JAK1JAK2PAK1
SCHEMBL22054602 0.87 TYK2 (0.57) TYK2JAK3JAK1JAK2PAK1
SCHEMBL23878951 0.87 TYK2 (0.57) TYK2JAK3JAK1JAK2PAK1

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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