SCHEMBL3787583

SCHEMBL3787583

Nc1c(CO)cccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.60
CD274 Q9NZQ7 1/20 0.60
DPP4 P27487 1/20 0.52
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 1/20 0.42
MAP4K4 O95819 1/20 0.42
CSF1R P07333 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
LIMK1 P53667 1/20 0.42
CDK5 Q00535 1/20 0.42
ACVR1 Q04771 1/20 0.42
TNK2 Q07912 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL3784518 0.86 PDCD1 (0.44) PDCD1CD274DPP4ALDH1A1HSD17B10
SCHEMBL3785999 0.85 ALDH1A1 (0.47) PDCD1CD274DPP4ALDH1A1MAP4K4
SCHEMBL27762955 0.84 DPP4 (0.48) PDCD1CD274DPP4ALDH1A1HSD17B10
SCHEMBL3787555 0.83 DPP4 (0.69) PDCD1CD274DPP4ALDH1A1HSD17B10
SCHEMBL3786241 0.82 ALDH1A1 (0.52) PDCD1CD274DPP4ALDH1A1HSD17B10
SCHEMBL21665539 0.82 DPP4 (0.50) PDCD1CD274DPP4ALDH1A1HSD17B10
SCHEMBL11051064 0.81 AKR1B1 (0.50) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL27525656 0.80 DPP4 (0.53) PDCD1CD274DPP4ALDH1A1HSD17B10
SCHEMBL117091 0.80 PDCD1 (0.65) PDCD1CD274DPP4ALDH1A1HSD17B10
SCHEMBL30826353 0.80 PDCD1 (0.65) PDCD1CD274DPP4ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation Jubilant Prodel LLC 2022-12-20 US disclosed
US-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC 2021-01-21 US disclosed
EP-3765453-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION Jubilant Prodel LLC (US) 2021-01-20 EP disclosed
CN-112105610-A Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2020-12-18 CN disclosed
WO-2019175897-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION JUBILANT BIOSYS LIMITED (IN) 2019-09-19 WO disclosed
WO-2019175897-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION JUBILANT BIOSYS LIMITED (IN) 2019-09-19 WO disclosed
CN-102348709-B Material for organic electroluminescent device MERCK PATENT GMBH 2014-11-19 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
CN-1386118-A Lactams substituted by cyclic succinates as inhibitors of A beta protein production BRISTOL MYERS SQUIBB CO (US) 2002-12-18 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 (3 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-20210015810-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885DPP4 1292/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PDCD1 465/4885CD274 1253/4885DPP4 3267/4885
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885DPP4 1292/4885

“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.