SCHEMBL24995571

SCHEMBL24995571

CC[C@@H]1C[C@@H](Nc2nc(Nc3cc(C)[nH]n3)c3sccc3n2)C[C@H](CC)N1C(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 3/20 0.44
▸ JAK2 O60674 10/20 0.42
▸ IGF1R P08069 2/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ 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
▸ MET P08581 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FGFR3 P22607 1/20 0.42
▸ SYK P43405 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
SCHEMBL23878888 0.88 JAK3 (0.48) PAK1JAK2IGF1RFGFR1KDR
SCHEMBL23878886 0.88 JAK3 (0.48) PAK1JAK2IGF1RFGFR1KDR
SCHEMBL22055257 0.88 AURKA (0.49) JAK2GSK3BAURKBTYK2JAK3
SCHEMBL24071963 0.86 PAK1 (0.43) PAK1JAK2IGF1RFGFR1KDR
SCHEMBL22054647 0.85 PAK1 (0.50) PAK1JAK2IGF1RFGFR1KDR
SCHEMBL24071710 0.84 AURKA (0.46) JAK2GSK3BAURKBTYK2JAK3
SCHEMBL22055271 0.83 PAK1 (0.42) PAK1JAK2IGF1RFGFR1KDR
SCHEMBL23889538 0.83 GRM5 (0.43) PAK1JAK2IGF1RFGFR1KDR
SCHEMBL24995883 0.82 PLK4 (0.48) JAK2TYK2JAK3JAK1
SCHEMBL23889633 0.81 PAK1 (0.45) PAK1JAK2IGF1RFGFR1KDR

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 PAK1 211/4885JAK2 19/4885IGF1R 1624/4885

“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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