SCHEMBL22255185

SCHEMBL22255185

CNc1ccc(CNC(C)(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.41
NNMT P40261 1/20 0.40
CPB2 Q96IY4 1/20 0.39
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP2C19 P33261 3/20 0.35
CA2 P00918 1/20 0.34
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL7940302 0.82 HCAR3 (0.44) HCAR3NNMTCPB2GAAMAPT
SCHEMBL12867094 0.79 HCAR3 (0.42) HCAR3NNMTCPB2MEN1LMNA
SCHEMBL17886890 0.77 HDAC1 (0.45) MEN1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL20227948 0.76 SLC6A2 (0.44) HCAR3NNMTCPB2MEN1LMNA
SCHEMBL20666278 0.76 CPB2 (0.41) HCAR3NNMTCPB2MEN1MAPT
SCHEMBL12020150 0.76 HCAR3 (0.46) HCAR3NNMTCPB2RAB9ASMN1; SMN2
SCHEMBL15498266 0.76 CA2 (0.38) MEN1LMNAGAAMAPTHTT
SCHEMBL5046117 0.76 KDM4E (0.56) MEN1LMNAGAAMAPTKMT2A
SCHEMBL22388076 0.75 HCAR3 (0.39) HCAR3NNMTCPB2KCNH2CYP11B1
SCHEMBL20666021 0.75 HCAR3 (0.39) HCAR3NNMTCPB2MEN1LMNA

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-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 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-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 HCAR3 144/4885NNMT 533/4885CPB2 3804/4885

“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.