SCHEMBL21630620

SCHEMBL21630620

CC1(C)OC(c2cnn(CC(N)=O)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.36
▸ ALK Q9UM73 1/20 0.32
▸ EED O75530 1/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ RORC P51449 2/20 0.32
▸ PARG Q86W56 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ ERCC5 P28715 1/20 0.31
▸ ALOX5AP P20292 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.30
▸ ALPI P09923 1/20 0.30
▸ ALPG P10696 1/20 0.30
▸ PLAA Q9Y263 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30

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
SCHEMBL16442366 0.78 KMT2A (0.34) FFAR1MAPT
SCHEMBL2544457 0.73 FFAR1 (0.59) PDK2ALKFFAR1ERCC5KDR
SCHEMBL21630576 0.72 KDM1A (0.40) RORC
SCHEMBL13243613 0.72 TAS2R8 (0.33) IKBKETBK1ALOX5AP
SCHEMBL1473249 0.71 HDAC3 (0.35) —
SCHEMBL13102449 0.71 ALPI (0.53) PDK2IKBKETBK1ALPIALPG
SCHEMBL15647731 0.70 ROCK2 (0.39) RORC
SCHEMBL673074 0.69 MAPT (0.42) PDK2EEDIKBKETBK1ERCC5
SCHEMBL31338589 0.69 IKBKE (0.33) PDK2EEDIKBKETBK1ERCC5
SCHEMBL19020680 0.68 ERCC5 (0.42) PDK2ALKIKBKETBK1PARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360140-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2024-10-31 — — US disclosed
US-11999740-B2 Fused pyrazine derivatives as A2A / A2B inhibitors INCYTE CORPORATION (US) 2024-06-04 — — US disclosed
US-20220135570-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2022-05-05 — — US disclosed
US-11161850-B2 Fused pyrazine derivatives as A2A / A2B inhibitors INCYTE CORPORATION (US) 2021-11-02 — — US disclosed
CN-113166153-A Fused pyrazine derivatives as A2A/A2B inhibitors 因赛特公司 2021-07-23 — — CN disclosed
US-20200031835-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2020-01-30 — — 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 (5 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-20220135570-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 PDK2 170/4885ALK 2591/4885EED 4160/4885
US-20240360140-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 PDK2 170/4885ALK 2591/4885EED 4160/4885
US-20200031835-A1 FUSED PYRAZINE DERIVATIVES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 PDK2 170/4885ALK 2591/4885EED 4160/4885
US-11161850-B2 Fused pyrazine derivatives as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 PDK2 170/4885ALK 2591/4885EED 4160/4885
US-11999740-B2 Fused pyrazine derivatives as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 PDK2 170/4885ALK 2591/4885EED 4160/4885

“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.

Send feedback