SCHEMBL6764229

SCHEMBL6764229

Cc1cc(C)nc(C2CNCCN2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.33
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
ACVR1B P36896 2/20 0.33
TGFBR1 P36897 2/20 0.33
TGFBR2 P37173 2/20 0.33
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
NOS1 P29475 1/20 0.33
ACVRL1 P37023 1/20 0.32
PARP1 P09874 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
KDM5A P29375 1/20 0.30

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
SCHEMBL5088449 0.77 CCR1 (0.39) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL27432364 0.73 OPRM1 (0.34) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL28148549 0.72 HRH4 (0.42)
SCHEMBL28216170 0.72 HTR2B (0.34)
Hydrochloric Acid SCHEMBL27459404 0.72 HTR2C (0.36) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL27708117 0.71 TAAR1 (0.46)
SCHEMBL12900577 0.70 SLC6A2 (0.40) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL6644141 0.70 TLR9 (0.38) NOS3NOS2NOS1PARP1TLR9
SCHEMBL20424189 0.68 HTR2A (0.31)
SCHEMBL12900540 0.67 ROCK2 (0.35) NOS1PARP1ROCK2ROCK1

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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 BMPR1B 3880/4885PDGFRB 2561/4885KDR 1927/4885

“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.