SCHEMBL391859

SCHEMBL391859

COC(=O)c1nn(-c2ccccc2)c(=O)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
CYP2C19 P33261 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 6/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 1/20 0.55
CYP3A4 P08684 2/20 0.53
MAPT P10636 3/20 0.52
GAA P10253 3/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BCAT1 P54687 1/20 0.51
FHIT P49789 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 1/20 0.50
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL12495320 0.89 KMT2A (0.63) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL11945535 0.86 ALDH1A1 (0.60) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL28748453 0.85 KMT2A (0.50) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL25078375 0.84 CYP2C9 (0.68) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL388564 0.84 ALDH1A1 (0.76) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL924805 0.84 ALDH1A1 (0.62) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL28748494 0.83 KMT2A (0.48) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL25078677 0.82 ALDH1A1 (0.61) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL25077913 0.82 RIPK1 (0.48) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL28748478 0.82 KMT2A (0.50) KMT2ACYP2C19CYP1A2CYP2C9SMN1; SMN2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
US-10479771-B2 Pyridazinone and pyridone compounds BIOTIE THERAPIES CORPORATION (FI) 2019-11-19 US disclosed
US-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2018-02-01 US disclosed
US-9815795-B2 Pyridazinone and pyridone compounds BIOTIE THERAPIES CORPORATION (FI) 2017-11-14 US disclosed
EP-2683711-B1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORP (FI) 2017-02-01 EP disclosed
US-20160244414-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2016-08-25 US disclosed
US-9371290-B2 Pyridazinone compounds BIOTIE THERAPIES CORPORATION (FI) 2016-06-21 US disclosed
EP-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP disclosed
US-20140024648-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORPORATION (FI) 2014-01-23 US disclosed
EP-2683711-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS Biotie Therapies Corp. (FI) 2014-01-15 EP disclosed
US-20090143389-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 US disclosed
US-20090143579-A1 Heterocyclic Inhibitors of MEK and Methods of Use Thereof ARRAY BIOPHARMA INC. (US) 2009-06-04 US disclosed
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2009-05-21 US disclosed
US-7517994-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-04-14 US disclosed
US-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2007-05-17 US disclosed
EP-1682138-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-24 EP disclosed
EP-1682138-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-07-26 EP disclosed
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-17 US disclosed
US-20050250782-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-10 US disclosed
WO-2005051301-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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 (10 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-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 KMT2A 2017/4885CYP2C19 234/4885CYP1A2 549/4885
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE NRAS, BRAF, MAPK9 KMT2A 2066/4885CYP2C19 226/4885CYP1A2 574/4885
US-20090143389-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 KMT2A 2233/4885CYP2C19 235/4885CYP1A2 604/4885
US-20050250782-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 KMT2A 2321/4885CYP2C19 181/4885CYP1A2 610/4885
US-20160244414-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK KMT2A 3561/4885CYP2C19 11/4885CYP1A2 14/4885
US-20140024648-A1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK KMT2A 3560/4885CYP2C19 23/4885CYP1A2 20/4885
US-20180029995-A1 PYRIDAZINONE AND PYRIDONE COMPOUNDS XDH, PNPO, PDXK KMT2A 3561/4885CYP2C19 11/4885CYP1A2 14/4885
US-10479771-B2 Pyridazinone and pyridone compounds XDH, PNPO, PDXK KMT2A 3561/4885CYP2C19 11/4885CYP1A2 14/4885
US-20090143579-A1 Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, MAPK9 KMT2A 2188/4885CYP2C19 207/4885CYP1A2 644/4885
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 KMT2A 2192/4885CYP2C19 203/4885CYP1A2 616/4885

“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.