SCHEMBL22886764

SCHEMBL22886764

O=C(O)C(=O)C(Cc1ccc(F)cc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.43
▸ POLB P06746 1/20 0.41
▸ BTK Q06187 3/20 0.40
▸ CSNK1D P48730 4/20 0.39
▸ CSNK1E P49674 4/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22886516 0.97 CAPN1 (0.47) CAPN1POLBBTKCSNK1DCSNK1E
SCHEMBL22886377 0.93 CAPN1 (0.45) CAPN1BTK
SCHEMBL22886558 0.88 CAPN1 (0.44) CAPN1POLBBTK
SCHEMBL22885939 0.86 DCAF1 (0.50) CAPN1CSNK1DCSNK1ECDK2ALDH1A1
SCHEMBL22885813 0.85 CAPN1 (0.40) CAPN1
SCHEMBL20027721 0.85 CAPN1 (0.55) CAPN1
SCHEMBL22886401 0.85 CAPN1 (0.45) CAPN1CDK2ALDH1A1
SCHEMBL30133598 0.85 CAPN1 (0.55) CAPN1
SCHEMBL22886531 0.83 BTK (0.43) CAPN1BTK
SCHEMBL22886747 0.83 CAPN1 (0.49) CAPN1CSNK1DCSNK1EALDH1A1

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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 — — 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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CAPN1 3/4885POLB 3525/4885BTK 4489/4885

“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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