SCHEMBL30002750

SCHEMBL30002750

CC(N(C)C)n1ncc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.44
SLC6A2 P23975 2/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
DNM1 Q05193 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 1/20 0.33
KMO O15229 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
EGFR P00533 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ACLY P53396 1/20 0.31

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
SCHEMBL7256657 0.88 KMO (0.40) HDAC8SLC6A2HTR2AHTR2CKMO
SCHEMBL13428 0.83 HDAC8 (0.48) HDAC8SLC6A2HTR2AHTR2CMCL1
SCHEMBL30551304 0.83 HDAC8 (0.48) HDAC8SLC6A2HTR2AHTR2CMCL1
SCHEMBL14910172 0.78 HDAC8 (0.44) HDAC8SLC6A2HTR2AHTR2CMCL1
SCHEMBL31444672 0.77 HDAC8 (0.43) HDAC8SLC6A2HTR2AHTR2CSMN1; SMN2
SCHEMBL23886616 0.77 HDAC8 (0.48) HDAC8SLC6A2HTR2AHTR2CMCL1
Hydrochloric Acid SCHEMBL8035361 0.76 HTR2A (0.32) HTR2AHTR2C
SCHEMBL14250555 0.75 HDAC8 (0.42) HDAC8HTR2AHTR2CMCL1
SCHEMBL31039261 0.72 EZH2 (0.32)
SCHEMBL447125 0.71 HTR2A (0.39) HDAC8SLC6A2HTR2AHTR2CMAPT

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
CN-122010905-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2026-05-12 CN disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 US disclosed
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2022-11-17 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-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 HDAC8 67/4885SLC6A2 3736/4885HTR2A 4741/4885
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 HDAC8 67/4885SLC6A2 3736/4885HTR2A 4741/4885

“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.