SCHEMBL23686232

SCHEMBL23686232

CC1(C)CC(Nc2nc(-c3ccccc3)cs2)CC(C)(C)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 6/20 0.61
LMNA P02545 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CXCR3 P49682 1/20 0.48
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
MAPT P10636 6/20 0.48
GFER P55789 3/20 0.48
ALOX12 P18054 2/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
RAD52 P43351 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ROCK2 O75116 1/20 0.47
GAA P10253 4/20 0.46
KCNH2 Q12809 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45

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
SCHEMBL23686350 0.97 RAB9A (0.59) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL23686359 0.92 RAB9A (0.52) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL23686351 0.87 KCNH2 (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1821159 0.76 RAB9A (1.00) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL21895103 0.75 KMT2A (0.52) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4488019 0.74 MEN1 (0.48) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL15147259 0.73 KCNH2 (0.53) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL9380274 0.70 KMT2A (0.87) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL259707 0.70 RAB9A (0.69) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL19500906 0.68 RAB9A (0.64) RAB9ANPC1LMNASMN1; SMN2CXCR3

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-20230034584-A1 INHIBITORS OF SHP2 BAYER AKTIENGESELLSCHAFT (DE) 2023-02-02 US disclosed
US-20210230300-A1 INHIBITORS OF SHP2 BAYER AKTIENGESELLSCHAFT (DE) 2021-07-29 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-20210230300-A1 INHIBITORS OF SHP2 PTPN1, PTPN2, PTPRJ RAB9A 1569/4885NPC1 2793/4885LMNA 4827/4885
US-20230034584-A1 INHIBITORS OF SHP2 PTPN1, PTPN2, PTPRJ RAB9A 1569/4885NPC1 2793/4885LMNA 4827/4885

“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.