SCHEMBL25844214

SCHEMBL25844214

CC(C)c1cnc2c(c1)CCN(C(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.34
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BTK Q06187 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL24253556 0.88 HRH3 (0.33) HRH3PIK3R1PIK3CATLR9TLR8
SCHEMBL26227148 0.88 HRH3 (0.34) HRH3PIK3R1PIK3CATLR9TLR8
SCHEMBL24253289 0.83 MAOA (0.38) MEN1KMT2A
SCHEMBL22993434 0.83 HRH3 (0.35) HRH3PIK3R1PIK3CATLR9TLR8
SCHEMBL24253554 0.78 HRH3 (0.36) HRH3TLR7
SCHEMBL25786782 0.77 HRH3 (0.32) HRH3BTK
SCHEMBL23798998 0.77 HSP90AA1 (0.34) MEN1KMT2A
SCHEMBL13229241 0.74 HRH3 (0.35) HRH3PIK3R1PIK3CA
SCHEMBL26051120 0.74 HDAC6 (0.41)
SCHEMBL16265160 0.73 CYP2C19 (0.42) MEN1KMT2ANPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 HRH3 442/4885PIK3R1 4340/4885PIK3CA 3278/4885
US-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 HRH3 3375/4885PIK3R1 2580/4885PIK3CA 3971/4885

“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.