SCHEMBL18367120

SCHEMBL18367120

COC(=O)c1ncn(Cc2ccccc2C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KLKB1 P03952 2/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90B1 P14625 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ASAH1 Q13510 1/20 0.41
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
RIPK1 Q13546 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
NOTUM Q6P988 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 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
SCHEMBL30092730 0.86 NPSR1 (0.46) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL18367122 0.86 NPSR1 (0.46) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL30587505 0.85 NPC1 (0.63) TSHRRAB9AMEN1NPC1KMT2A
SCHEMBL30587636 0.85 RIPK1 (0.52) TSHRRAB9AMEN1NPC1KMT2A
SCHEMBL18366900 0.85 NPC1 (0.63) TSHRRAB9AMEN1NPC1KMT2A
SCHEMBL18366884 0.85 RIPK1 (0.52) TSHRRAB9AMEN1NPC1KMT2A
SCHEMBL18367125 0.85 LMNA (0.47) TSHRRAB9ANPC1MAPTALDH1A1
SCHEMBL28414528 0.84 MEN1 (0.41) RAB9AMEN1NPC1KMT2AKLKB1
SCHEMBL22888044 0.83 KLKB1 (0.45) TSHRRAB9AMAPTALDH1A1KLKB1
SCHEMBL29757100 0.83 KLKB1 (0.45) TSHRRAB9AMAPTALDH1A1KLKB1

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
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
WO-2020239074-A1 BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-12-03 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

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 TSHR 3154/4885RAB9A 979/4885MEN1 128/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 TSHR 3154/4885RAB9A 979/4885MEN1 128/4885

“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.