SCHEMBL3228828

SCHEMBL3228828

CCOC(=O)c1cc(C)nn1-c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 1/20 0.49
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ELANE P08246 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
STAT1 P42224 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL3833007 0.86 KMT2A (0.51) SLC34A1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL31067538 0.86 KMT2A (0.51) SLC34A1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL2924097 0.85 NTRK1 (0.52) SLC34A1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3835827 0.84 SMN1; SMN2 (0.46) SLC34A1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL1877271 0.84 SMN1; SMN2 (0.52) KMT2AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL20028058 0.83 SLC34A1 (0.52) SLC34A1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5344577 0.83 MAPT (0.53) SLC34A1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL7373266 0.83 SMN1; SMN2 (0.51) KMT2AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL8511661 0.83 KMT2A (0.60) KMT2AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL14217732 0.83 PDE4D (0.60) KMT2AALDH1A1POLBSMN1; SMN2NPSR1

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 15 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
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
EP-2079729-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-07-22 EP disclosed
WO-2008058037-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-15 WO disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-6720317-B1 1-NAPHTH-2-YL-1H-PYRAZOLE-5-(4-AMIDINOPHENYL)CARBOXYAMIDE, MULTIPLY SUBSTITUTED; NON AMIDINO ANTICOAGULANTS; HEMOSTATIC AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-6686368-B1 Inhibitors of factor Xa MILLENNIUM PAHRMACEUTICALS, INC. 2004-02-03 US disclosed
US-6632815-B2 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed
US-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2002-07-11 US disclosed
EP-1216231-A2 INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
WO-2001019798-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2001-03-22 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 (5 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 1798/4885KMT2A 4418/4885ALDH1A1 4193/4885
US-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades SERPINC1, TFPI, F2 SLC34A1 3382/4885KMT2A 4495/4885ALDH1A1 4324/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 SLC34A1 2459/4885KMT2A 4469/4885ALDH1A1 4421/4885
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS PDGFRB, PDGFRA, KIT SLC34A1 2337/4885KMT2A 2670/4885ALDH1A1 2082/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 SLC34A1 1798/4885KMT2A 4418/4885ALDH1A1 4193/4885

“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.