SCHEMBL18367351

SCHEMBL18367351

COC(=O)c1ccn(Cc2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
MEN1 O00255 1/20 0.71
HDAC1 Q13547 3/20 0.55
CACNA1G O43497 10/20 0.52
CACNA1I Q9P0X4 10/20 0.52
CACNA1H O95180 9/20 0.52
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAF1 P04049 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL27756146 0.87 KMT2A (0.58) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL18338361 0.85 LMNA (0.65) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL1906943 0.85 KMT2A (0.60) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL28765145 0.84 KMT2A (0.55) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL325874 0.84 KMT2A (0.51) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL12682657 0.83 NPC1 (1.00) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL19659478 0.83 HDAC1 (0.56) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL2485700 0.82 HDAC1 (0.58) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL18377474 0.82 HDAC1 (0.62) KMT2ANPC1RAB9AMEN1HDAC1
SCHEMBL18338470 0.81 HDAC1 (0.57) KMT2ANPC1RAB9AMEN1HDAC1

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 11 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
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 CN 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
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN 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
CN-101528687-A Aminopyrazole derivatives, process for the preparation thereof, and composition for preventing or treating ischemic diseases containing the same KOREA RES INST CHEM TECH (KR) 2009-09-09 CN 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 KMT2A 3390/4885NPC1 541/4885RAB9A 979/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 KMT2A 3390/4885NPC1 541/4885RAB9A 979/4885

“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.