SCHEMBL24375210

SCHEMBL24375210

CC(C)n1cnc(=O)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MAPT P10636 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
SCHEMBL24375661 0.76 GDA (0.33) ALDH1A1ADORA2AADORA1ADORA2BMAPT
SCHEMBL12556539 0.73 ALDH1A1 (0.37) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20847874 0.68 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL13988839 0.66 ADORA2A (0.31) HCAR3ADORA2AADORA1ADORA2BPI4KA
SCHEMBL14072358 0.63 USP5 (0.43) HCAR3MEN1KMT2ACDK1CCNB1
SCHEMBL11783513 0.62 PTGS2 (0.40) HCAR3ALDH1A1MEN1KMT2ACDK1
SCHEMBL18456525 0.62 KDM5B (0.41) HCAR3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL26073787 0.62 ADORA2A (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2ADORA2A
SCHEMBL10001264 0.61 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2ADORA2A
SCHEMBL18852453 0.61 HCAR1 (0.55) —

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-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2022-04-28 — — 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-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE PTPN1, PTPN7, PTPN9 HCAR3 4180/4885ALDH1A1 3157/4885MEN1 1507/4885

“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.

Send feedback