SCHEMBL3904503

SCHEMBL3904503

CCOC(=O)c1cc(C#N)n(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
GAA P10253 1/20 0.65
TP53 P04637 3/20 0.61
MAPT P10636 4/20 0.61
POLB P06746 1/20 0.60
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
KDM4E B2RXH2 2/20 0.57
THRB P10828 1/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.53
PDE4D Q08499 1/20 0.52

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
SCHEMBL7268 0.85 KMT2A (0.68) KMT2AGAATP53MAPTPOLB
SCHEMBL28625965 0.84 KMT2A (0.67) KMT2AGAATP53MAPTPOLB
SCHEMBL3299372 0.82 KMT2A (0.68) KMT2AGAATP53MAPTPOLB
SCHEMBL20027961 0.81 RPA1 (0.58) KMT2AMAPTALDH1A1TDP1MEN1
SCHEMBL2835335 0.80 KMT2A (0.65) KMT2AGAATP53MAPTPOLB
SCHEMBL22896893 0.80 KMT2A (0.65) KMT2AGAATP53MAPTPOLB
SCHEMBL952878 0.80 KMT2A (0.72) KMT2AGAATP53MAPTPOLB
SCHEMBL16797270 0.80 KMT2A (0.52) KMT2AGAATP53MAPTPOLB
SCHEMBL9630738 0.79 CA9 (0.77) KMT2AGAATP53MAPT
SCHEMBL4923024 0.79 KMT2A (0.52) KMT2AGAATP53MAPTPOLB

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 8 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
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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 (4 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 4418/4885GAA 616/4885TP53 1804/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 KMT2A 4469/4885GAA 751/4885TP53 1368/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KMT2A 4418/4885GAA 616/4885TP53 1804/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 KMT2A 840/4885GAA 4259/4885TP53 3180/4885

“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.