SCHEMBL22792806

SCHEMBL22792806

CC(C)c1nc2cc[nH]c2cc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.32
▸ SCN10A Q9Y5Y9 4/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PAK3 O75914 2/20 0.31
▸ PAK1 Q13153 2/20 0.31
▸ PAK2 Q13177 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ AHR P35869 3/20 0.30
▸ CMA1 P23946 1/20 0.30
▸ TYR P14679 1/20 0.30

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
SCHEMBL21672437 0.80 BRD4 (0.38) APPSCN10AMEN1POLBMAPK1
SCHEMBL13604903 0.78 CYP3A4 (0.33) APPSCN10AMEN1POLBMAPK1
SCHEMBL21672428 0.77 AHR (0.35) APPSCN10ACYP3A4AHRCMA1
SCHEMBL16982068 0.75 FEN1 (0.36) —
SCHEMBL14602870 0.71 ALDH1A1 (0.43) —
SCHEMBL22792660 0.70 GPR84 (0.40) MEN1POLBMAPK1KMT2ACYP3A4
SCHEMBL21743424 0.68 BRD4 (0.37) APPMEN1POLBMAPK1KMT2A
SCHEMBL19367490 0.68 PDPK1 (0.33) —
SCHEMBL13604898 0.68 DYRK1A (0.33) —
SCHEMBL8957480 0.67 GPR84 (0.48) MEN1POLBMAPK1KMT2ACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 — — US disclosed
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 (2 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-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 APP 3561/4885SCN10A 1747/4885MEN1 2858/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ APP 3611/4885SCN10A 1766/4885MEN1 3020/4885

“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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