SCHEMBL18367244

SCHEMBL18367244

O=C(O)c1ncn(Cc2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 8/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
PTPRA P18433 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
GFER P55789 1/20 0.40
FEN1 P39748 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL30587530 1.00 KDM4C (0.46) KDM4CKDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL30587594 0.87 ADRA1D (0.44) KDM4CKDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL19659053 0.87 ALDH1A1 (0.43) KDM4CKDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL18367249 0.83 KDM4E (0.46) KDM4EALDH1A1NPSR1KMT2AMEN1
SCHEMBL30587603 0.83 KDM4E (0.46) KDM4EALDH1A1NPSR1KMT2AMEN1
SCHEMBL1414358 0.81 KLKB1 (0.49) PKMHDAC1HDAC6TSHR
SCHEMBL23070294 0.77 HDAC1 (0.43) KDM4CKDM4EALDH1A1HDAC1HDAC6
SCHEMBL16062081 0.76 L3MBTL1 (0.47) KDM4CKDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL18367234 0.75 EGLN1 (0.40)
SCHEMBL18367260 0.75 SLC40A1 (0.42) ALDH1A1KMT2AMEN1PKMHDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023119210-A1 NOVEL COMPOUND AS RIPK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 제일약품주식회사 2023-06-29 WO disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
CN-107849023-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2018-03-27 CN disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US 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 (2 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 KDM4C 2383/4885KDM4E 3546/4885ALDH1A1 1195/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 KDM4C 2383/4885KDM4E 3546/4885ALDH1A1 1195/4885

“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.