SCHEMBL31003239

SCHEMBL31003239

Cc1cnc(C(C)O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
APLNR P35414 1/20 0.42
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PLAU P00749 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL7951929 0.82 NOS3 (0.48) NOS3NOS1NOS2APLNRCCR1
SCHEMBL31015559 0.79 S1PR3 (0.49) APLNRKDM4EKMT2AALDH1A1S1PR1
SCHEMBL24122428 0.79 S1PR1 (0.38) APLNRLMNAPLAUS1PR1S1PR3
SCHEMBL30318400 0.79 AGBL2 (0.43) APLNR
SCHEMBL31717994 0.79 S1PR1 (0.38) APLNRLMNAPLAUS1PR1S1PR3
SCHEMBL16414361 0.78 NOS3 (0.50) NOS3NOS1NOS2APLNRCCR1
SCHEMBL31003101 0.78 DYRK1A (0.39) KMT2AALDH1A1
SCHEMBL18018122 0.76 NOS3 (0.46) NOS3NOS1NOS2APLNRCCR1
SCHEMBL23365996 0.75 NOS3 (0.42) NOS3NOS1NOS2APLNRCCR1
SCHEMBL31003273 0.74 KDM4E (0.37) KDM4EKMT2AABL1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 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 (1 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-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK NOS3 3707/4885NOS1 3007/4885NOS2 2948/4885

“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.