SCHEMBL24728224

SCHEMBL24728224

CNc1cc(NCCN)cc2cc[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ AR P10275 1/20 0.34
▸ ZAP70 P43403 1/20 0.33
▸ KARS1 Q15046 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ ALDH1A1 P00352 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 0.82 KARS1 (0.35) ZAP70KARS1ALDH1A1CHRNA7
SCHEMBL24728147 0.78 ZAP70 (0.32) ZAP70KARS1
SCHEMBL27565169 0.71 NR3C1 (0.38) NR3C1PGRNR3C2ARTSHR
SCHEMBL22817348 0.70 PRKCQ (0.34) MAPTCHEK1ALDH1A1CHRNA7
SCHEMBL24728310 0.65 HTR1B (0.33) AR
SCHEMBL13085560 0.63 NR3C1 (0.61) NR3C1PGRNR3C2ARCA4
SCHEMBL24728675 0.62 HTR2A (0.34) ARZAP70
SCHEMBL9480445 0.62 MAPT (0.48) ZAP70KARS1CA12CA3CA4
SCHEMBL24728146 0.61 CARM1 (0.32) —
SCHEMBL20783781 0.60 TNF (0.44) NR3C1PGRNR3C2AR

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 NR3C1 4200/4885PGR 4878/4885NR3C2 4013/4885

“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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