SCHEMBL20009006

SCHEMBL20009006

CC(C)N1CCN(c2cnn(C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
HRH3 Q9Y5N1 3/20 0.44
FYN P06241 2/20 0.38
LRRK2 Q5S007 3/20 0.37
KHK P50053 1/20 0.37
RET P07949 1/20 0.37
SOS1 Q07889 4/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
KCNH2 Q12809 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL6883030 0.80 ALDH1A1 (0.46) KDM4EALDH1A1MAPTACVR1
SCHEMBL18107430 0.78 CHKA (0.41) KDM4EALDH1A1MAPTLRRK2ACVR1
SCHEMBL18107285 0.76 ROCK2 (0.41) KDM4EALDH1A1MAPTLRRK2
SCHEMBL24127166 0.75 ACVR1 (0.37) HRH3LRRK2SOS1ACVR1
SCHEMBL6888248 0.74 CHRNA7 (0.52) KDM4EALDH1A1MAPTHRH3LRRK2
SCHEMBL18107206 0.74 CHKA (0.47) KDM4EALDH1A1MAPTACVR1
SCHEMBL14701262 0.74 GSK3B (0.33) ALDH1A1LRRK2SOS1ACVR1KCNH2
SCHEMBL18107278 0.73 LMNA (0.45) KDM4EALDH1A1MAPTLRRK2
SCHEMBL12065191 0.73 ADRB1 (0.47) RETACVR1
SCHEMBL27921191 0.73 KDM4E (0.52) KDM4EALDH1A1MAPTPKMHRH3

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
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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 (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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 KDM4E 1623/4885ALDH1A1 3032/4885MAPT 2011/4885

“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.