SCHEMBL24728147

SCHEMBL24728147

CC(C)c1cc(NCCN)cc2cc[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ KARS1 Q15046 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ SYK P43405 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
SCHEMBL22817320 0.81 KARS1 (0.35) ZAP70KARS1
SCHEMBL24728224 0.78 NR3C1 (0.34) ZAP70KARS1
SCHEMBL24728146 0.77 CARM1 (0.32) CARM1
SCHEMBL23685895 0.73 AHR (0.42) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL14329071 0.70 GABRA1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL14330927 0.70 TRPA1 (0.34) SLC6A2
SCHEMBL23475222 0.69 CYP1A2 (0.36) —
SCHEMBL20314900 0.68 USP2 (0.41) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4805952 0.68 GABRA1 (0.44) —
SCHEMBL17661909 0.68 GABRA1 (0.44) —

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-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF PURDUE RESEARCH FOUNDATION 2022-12-08 — — 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-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF SPTBN1, CTTN, HBG1 ZAP70 657/4885CARM1 1493/4885P2RX3 2260/4885

“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.

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