SCHEMBL22792920

SCHEMBL22792920

CC(C)(C)c1cnc2sccc2c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ MET P08581 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MAP2K2 P36507 1/20 0.38

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
SCHEMBL22792964 0.79 CHEK1 (0.36) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL10295523 0.76 CHEK1 (0.41) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL22792924 0.71 ADORA2A (0.39) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL18806100 0.68 DYRK1A (0.35) DYRK1ALMNAALDH1A1KDM4EHPGD
SCHEMBL10220446 0.67 CHEK1 (0.53) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL22792708 0.66 KDM4E (0.43) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL18819893 0.65 DYRK1A (0.33) DYRK1AKDM4E
SCHEMBL22792992 0.64 PRKCI (0.46) AURKADAPK3JAK2MAP4K4CSF1R
SCHEMBL22792562 0.64 KDM4A (0.39) PRKCQROCK1ALDH1A1KDM4EHTT
SCHEMBL22792921 0.64 KDM4E (0.44) LMNAALDH1A1KDM4EHPGDHTT

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-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 — — 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-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ CHEK1 3411/4885AURKA 4120/4885DAPK3 499/4885

“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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