SCHEMBL684062

SCHEMBL684062

Cn1cnc2c1c(=O)n(CN1CCN(c3ccccn3)CC1)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
ADRB2 P07550 1/20 0.52
STAT6 P42226 1/20 0.52
HTT P42858 1/20 0.52
HIF1A Q16665 1/20 0.52
ADORA2B P29275 5/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.47
BLM P54132 1/20 0.47
MAPK1 P28482 1/20 0.46
DPP4 P27487 1/20 0.46

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
SCHEMBL684023 0.86 HTR2A (0.58) HTR2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL684065 0.83 HTR2A (0.52) HTR2ASMN1; SMN2LMNAADORA2BKMT2A
SCHEMBL683646 0.83 HTR2A (0.52) HTR2ASMN1; SMN2LMNAADORA2BNPSR1
SCHEMBL684022 0.82 HTR7 (0.58) ALDH1A1SMN1; SMN2LMNAADORA2BCYP3A4
SCHEMBL683640 0.82 HTR2A (0.51) HTR2ASMN1; SMN2LMNAADORA2BKMT2A
SCHEMBL682830 0.81 ADORA2B (0.50) HTR2AALDH1A1SMN1; SMN2LMNAADORA2B
SCHEMBL683692 0.81 L3MBTL1 (0.56) HTR2AALDH1A1SMN1; SMN2ADORA2B
SCHEMBL23974958 0.80 ADORA2B (0.60) HTR2ASMN1; SMN2LMNAADORA2BGLA
SCHEMBL683696 0.79 HTR2A (0.48) HTR2AALDH1A1SMN1; SMN2LMNAADORA2B
SCHEMBL684026 0.79 MAPK1 (0.49) HTR2AALDH1A1KDM4ELMNAADORA2B

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF HTR2A 1201/4885ALDH1A1 1565/4885SMN1; SMN2 907/4885

“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.