SCHEMBL7022601

SCHEMBL7022601

CCSc1ncc(C#N)c(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.43
ALDH1A1 P00352 6/20 0.40
CSNK1A1 P48729 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
BRD4 O60885 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL31279583 0.81 KMT2A (0.42) KMT2AGAAMEN1HSD17B10KDM4E
SCHEMBL440008 0.81 KMT2A (0.42) KMT2AGAAMEN1HSD17B10KDM4E
SCHEMBL810345 0.80 KMT2A (0.69) KMT2AGAAMEN1HSD17B10KDM4E
SCHEMBL7017942 0.80 KMT2A (0.47) KMT2AGAAMEN1HSD17B10KDM4E
SCHEMBL13735717 0.80 TP53 (0.69) KMT2AGAAMEN1HSD17B10KDM4E
SCHEMBL25595243 0.77 CSNK1A1 (0.42) KMT2AGAAMEN1HSD17B10KDM4E
SCHEMBL7020201 0.75 KMT2A (0.44) KMT2AMEN1L3MBTL1HTTALDH1A1
SCHEMBL20555434 0.73 CSNK1A1 (0.50) KMT2AGAAMEN1HSD17B10KDM4E
SCHEMBL9589836 0.72 L3MBTL1 (0.43) KMT2AGAAMEN1HSD17B10KDM4E
SCHEMBL811552 0.71 MBOAT4 (0.44) KMT2AGAAMEN1HSD17B10KDM4E

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-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 US disclosed
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 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-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT KMT2A 1874/4885GAA 245/4885MEN1 1039/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA KMT2A 1823/4885GAA 248/4885MEN1 1029/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT KMT2A 1874/4885GAA 245/4885MEN1 1039/4885

“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.