SCHEMBL22793034

SCHEMBL22793034

Cc1c(C(C)(C)C)ncc2[nH]ccc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.35
AXL P30530 1/20 0.35
HPGD P15428 1/20 0.33
AHR P35869 1/20 0.32
CCR4 P51679 1/20 0.31
BRD4 O60885 1/20 0.31
DHPS P49366 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
SCHEMBL22792800 0.82 AXL (0.32) PRKCIAXLCCR4BRD4DHPS
SCHEMBL24809910 0.74 AXL (0.37) PRKCIAXLAHRBRD4
SCHEMBL30501980 0.74 AXL (0.44) PRKCIAXLAHRBRD4
SCHEMBL22576128 0.74 AXL (0.44) PRKCIAXLAHRBRD4
SCHEMBL12395338 0.70 TRPA1 (0.41) PRKCIAXLAHRCCR4DHPS
SCHEMBL2674872 0.70 AHR (0.38) PRKCIAXLAHRBRD4
SCHEMBL24809828 0.70 TRPA1 (0.33) PRKCIAXLCCR4BRD4
SCHEMBL22576507 0.70 JAK1 (0.36)
SCHEMBL22792993 0.68 PDE3B (0.30)
SCHEMBL13059117 0.68 KIF11 (0.32) PRKCIAXL

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 PRKCI 308/4885AXL 1396/4885HPGD 2504/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ PRKCI 328/4885AXL 1050/4885HPGD 2424/4885

“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.