SCHEMBL20027770

SCHEMBL20027770

CCOC(=O)c1cc(C)nn1-c1cccc(CN)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
F10 P00742 5/20 0.51
F2 P00734 4/20 0.51
PRSS1 P07477 4/20 0.51
PRSS2 P07478 4/20 0.51
PRSS3 P35030 4/20 0.51
KLKB1 P03952 5/20 0.50
SCN9A Q15858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43

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
Hydrochloric Acid SCHEMBL21854205 0.99 KMT2A (0.51) KMT2AF10F2PRSS1PRSS2
SCHEMBL20028223 0.89 KMT2A (0.53) KMT2AF10F2PRSS1PRSS2
SCHEMBL22897205 0.89 F10 (0.54) KMT2AF10F2PRSS1PRSS2
SCHEMBL18865511 0.89 KMT2A (0.52) KMT2AF10SMN1; SMN2ALDH1A1POLB
SCHEMBL20028218 0.88 KMT2A (0.52) KMT2ASCN9ASMN1; SMN2ALDH1A1POLB
SCHEMBL20027642 0.86 KMT2A (0.55) KMT2ASCN9ASMN1; SMN2ALDH1A1POLB
SCHEMBL5478307 0.85 KLKB1 (0.72) F10F2PRSS1PRSS2PRSS3
SCHEMBL17064841 0.85 KLKB1 (0.67) KMT2AF10F2PRSS1PRSS2
SCHEMBL20028491 0.84 KMT2A (0.51) KMT2ASCN9ASMN1; SMN2ALDH1A1POLB
SCHEMBL20028694 0.84 KMT2A (0.51) KMT2ASCN9ASMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KMT2A 4418/4885F10 4552/4885F2 4865/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 KMT2A 4469/4885F10 4424/4885F2 4769/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KMT2A 4418/4885F10 4552/4885F2 4865/4885

“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.