SCHEMBL24995883

SCHEMBL24995883

CC[C@@H]1C[C@@H](Nc2nc(Nc3cc(C)[nH]n3)c3cnn(C)c3n2)C[C@H](CC)N1C(=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 14/20 0.48
▸ NTRK1 P04629 8/20 0.43
▸ JAK2 O60674 5/20 0.40
▸ JAK1 P23458 5/20 0.40
▸ TYK2 P29597 5/20 0.40
▸ JAK3 P52333 5/20 0.40
▸ HTR2C P28335 1/20 0.39

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
SCHEMBL30227729 0.89 TYK2 (0.49) PLK4NTRK1JAK2JAK1TYK2
SCHEMBL22055393 0.89 TYK2 (0.49) PLK4NTRK1JAK2JAK1TYK2
SCHEMBL23878890 0.89 TYK2 (0.49) PLK4NTRK1JAK2JAK1TYK2
SCHEMBL22055257 0.88 AURKA (0.49) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL24071710 0.83 AURKA (0.46) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL24995571 0.82 PAK1 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL22054963 0.77 TYK2 (0.56) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL23878843 0.77 TYK2 (0.56) NTRK1JAK2JAK1TYK2JAK3
SCHEMBL22055392 0.76 PLK4 (0.44) PLK4NTRK1JAK2JAK1TYK2
SCHEMBL22054597 0.76 AURKA (0.49) NTRK1JAK2JAK1TYK2JAK3

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 1 patent. 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

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 PLK4 2282/4885NTRK1 2151/4885JAK2 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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