SCHEMBL23686359

SCHEMBL23686359

CC1(C)CC(Nc2nc(-c3cccc(-c4ccccc4)c3)cs2)CC(C)(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 4/20 0.52
KCNH2 Q12809 2/20 0.47
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
GFER P55789 2/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RAD52 P43351 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CXCR3 P49682 1/20 0.43
ROCK2 O75116 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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 0.92 RAB9A (0.59) RAB9ANPC1KCNH2MEN1KMT2A
SCHEMBL23686232 0.92 RAB9A (0.61) RAB9ANPC1KCNH2MEN1KMT2A
SCHEMBL23686351 0.86 KCNH2 (0.64) RAB9ANPC1KCNH2MEN1KMT2A
SCHEMBL21895103 0.71 KMT2A (0.52) KCNH2MEN1KMT2AMAPTALDH1A1
SCHEMBL14349548 0.69 RAB9A (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL1821159 0.69 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4155889 0.67 NPC1 (0.52) RAB9ANPC1MEN1KMT2ACXCR3
SCHEMBL22305935 0.66 AR (0.60) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10076588 0.66 RECQL (0.68) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL3615155 0.66 ALOX5 (0.51) RAB9ANPC1MEN1KMT2AMAPT

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 2793/4885KCNH2 4257/4885
US-20230034584-A1 INHIBITORS OF SHP2 PTPN1, PTPN2, PTPRJ RAB9A 1569/4885NPC1 2793/4885KCNH2 4257/4885

“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.