SCHEMBL11370489

SCHEMBL11370489

Cc1nc(N)c2cccnc2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 1/20 0.53
LIMK1 P53667 1/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 3/20 0.44
CCR8 P51685 3/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
DHFR P00374 1/20 0.42
PRMT5 O14744 1/20 0.42
HSP90AB1 P08238 2/20 0.41
HTT P42858 2/20 0.41
PSMD14 O00487 1/20 0.41
COPS5 Q92905 1/20 0.41
IDO1 P14902 1/20 0.41
PSMB5 P28074 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPT P10636 3/20 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
SCHEMBL22270825 0.85 HSP90AA1 (0.59) HSP90AA1L3MBTL1NPC1LIMK1LMNA
SCHEMBL11373216 0.78 RXFP1 (0.46) HSP90AA1L3MBTL1NPC1LIMK1LMNA
SCHEMBL30454452 0.76 HSP90AA1 (0.50) HSP90AA1L3MBTL1NPC1LIMK1LMNA
SCHEMBL21297755 0.75 HSP90AA1 (0.73) HSP90AA1L3MBTL1NPC1LMNACCR1
SCHEMBL11367413 0.75 CDC7 (0.48) HSP90AA1L3MBTL1NPC1CCR1CCR8
SCHEMBL22270667 0.74 ADORA2A (0.43) HSP90AA1L3MBTL1NPC1LIMK1LMNA
SCHEMBL12070710 0.74 KDM4E (0.48) LMNANOS3NOS1NOS2DHFR
SCHEMBL11368804 0.73 L3MBTL1 (0.40) HSP90AA1L3MBTL1NPC1LIMK1LMNA
SCHEMBL12733673 0.72 DCPS (0.52) NPC1LMNADHFRPRMT5HTT
SCHEMBL30287027 0.72 HSP90AA1 (0.50) HSP90AA1L3MBTL1NPC1LIMK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686199-B9 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS SUZHOU CO LTD (CN) 2022-12-07 EP disclosed
US-11312715-B2 Fused ring derivative as A2A receptor inhibitor CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2022-04-26 US disclosed
US-20200239465-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS (SHANGHAI) CO., LTD. (CN) 2020-07-30 US disclosed
EP-3686199-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2020-07-29 EP disclosed
US-4260759-A CONDENSATION OF NITRILES SCHERING-CORPORATION (US) 1981-04-07 US disclosed
US-4115395-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1978-09-19 US disclosed
US-4107166-A ANTIFUNGAL, ANTIBACTERIAL SCHERING CORPORATION (US) 1978-08-15 US disclosed
US-4017500-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1977-04-12 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-11312715-B2 Fused ring derivative as A2A receptor inhibitor ADORA2A, ADORA2B, ADORA1 HSP90AA1 3780/4885L3MBTL1 4009/4885NPC1 695/4885
US-20200239465-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA2B, ADORA1 HSP90AA1 3780/4885L3MBTL1 4009/4885NPC1 695/4885

“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.