SCHEMBL20028058

SCHEMBL20028058

CCOC(=O)c1cc(C)nn1-c1ccc(C#N)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 5/20 0.52
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 3/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 1/20 0.40
DPP4 P27487 1/20 0.40
P2RX7 Q99572 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL20028048 0.84 ALDH1A1 (0.51) SLC34A1ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3228828 0.83 SLC34A1 (0.49) SLC34A1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL30599785 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EL3MBTL1MAPT
SCHEMBL16660099 0.82 ALDH1A1 (0.49) SLC34A1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL20028500 0.79 SMN1; SMN2 (0.61) SLC34A1ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL20028741 0.78 ALDH1A1 (0.53) SLC34A1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL31067538 0.78 KMT2A (0.51) SLC34A1ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3833007 0.78 KMT2A (0.51) SLC34A1ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3835361 0.77 ALDH1A1 (0.49) SLC34A1ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3829566 0.77 ALDH1A1 (0.74) SLC34A1ALDH1A1SMN1; SMN2KDM4EMAPT

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 SLC34A1 1798/4885ALDH1A1 4193/4885SMN1; SMN2 200/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 SLC34A1 2459/4885ALDH1A1 4421/4885SMN1; SMN2 263/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 SLC34A1 1798/4885ALDH1A1 4193/4885SMN1; SMN2 200/4885

“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.