SCHEMBL21995393

SCHEMBL21995393

CSc1ncc2c(n1)c(=O)[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 2/20 0.45
TNKS O95271 1/20 0.45
LMNA P02545 1/20 0.45
GPR3 P46089 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
PARP15 Q460N3 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
ADORA3 P0DMS8 5/20 0.41
ADORA1 P30542 2/20 0.41
HPGD P15428 1/20 0.41
CHEK1 O14757 1/20 0.40
MAPT P10636 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL31584349 0.89 MEN1 (0.53) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL22056721 0.89 MEN1 (0.53) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL22057587 0.83 PARP1 (0.49) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL22056717 0.81 PARP1 (0.51) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1101892 0.79 CA5A (0.46) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL22056719 0.77 PARP1 (0.54) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL629893 0.76 PARP1 (0.56) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL22057623 0.74 KMT2A (0.56) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL22056714 0.73 PARP1 (0.56) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL22056724 0.72 PARP1 (0.50) PARP1MEN1KMT2AALDH1A1KDM4E

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-20220013730-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK KGAA (DE) 2022-01-13 US disclosed
EP-3887478-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed
WO-2020109434-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
WO-2020109434-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-04 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 (1 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-20220013730-A1 COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2C19, ESR1 PARP1 1779/4885MEN1 153/4885KMT2A 1896/4885

“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.