SCHEMBL18367249

SCHEMBL18367249

COC(=O)c1ncn(Cc2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90B1 P14625 1/20 0.44
ALOX15 P16050 1/20 0.43
HDAC1 Q13547 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOTUM Q6P988 1/20 0.40
CREBBP Q92793 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
VNN1 O95497 1/20 0.39

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
SCHEMBL30587603 1.00 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL19659053 0.85 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2TSHRHDAC1
SCHEMBL18367244 0.83 KDM4C (0.46) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL30587530 0.83 KDM4C (0.46) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL1414421 0.82 KLKB1 (0.50) SMN1; SMN2HDAC1NOTUMCYP1A2
SCHEMBL30587594 0.82 ADRA1D (0.44) KDM4EALDH1A1SMN1; SMN2HDAC1MEN1
SCHEMBL23081411 0.79 HDAC1 (0.40) KDM4ESMN1; SMN2TSHRHDAC1NOTUM
SCHEMBL18367236 0.79 ADORA2A (0.40) KDM4ENOTUM
SCHEMBL28414528 0.79 MEN1 (0.41) KDM4EMEN1KMT2ANOTUM
SCHEMBL30092730 0.78 NPSR1 (0.46) ALDH1A1SMN1; SMN2HPGDHSP90AA1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO 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
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 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 (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 KDM4E 3546/4885ALDH1A1 1195/4885SMN1; SMN2 3272/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 KDM4E 3546/4885ALDH1A1 1195/4885SMN1; SMN2 3272/4885

“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.