SCHEMBL22792909

SCHEMBL22792909

CC(C)n1c(C(C)(C)C)cc2cnccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NFATC1 O95644 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
HASPIN Q8TF76 1/20 0.31

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
SCHEMBL22792640 0.87 DHFR (0.46) DHFRUSP2HTTNCOA1NCOA3
SCHEMBL19120994 0.78 USP2 (0.48) DHFRUSP2HTTNCOA1NCOA3
SCHEMBL23478921 0.78 ATM (0.38) KDM4EATMRAPGEF4HASPIN
SCHEMBL22792804 0.77 ALOX5AP (0.35) KDM4EMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL26605074 0.77 USP2 (0.43) DHFRUSP2HTTNCOA1NCOA3
SCHEMBL17658846 0.77 USP2 (0.43) USP2HTTNCOA1NCOA3CYP11B1
SCHEMBL19135988 0.76 DHFR (0.47) DHFRHTTKDM4EMEN1CYP1A2
SCHEMBL21323511 0.73 USP2 (0.40) USP2HTTNCOA1NCOA3CYP11B1
SCHEMBL21341613 0.70 DHFR (0.45) DHFRHTTMEN1KMT2A
SCHEMBL29830247 0.70 USP2 (0.43) USP2HTTNCOA1NCOA3NFATC1

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 DHFR 818/4885USP2 1055/4885HTT 1651/4885

“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.