SCHEMBL21530645

SCHEMBL21530645

CCCCCn1c2c(C)c[nH]c2c(=O)n2c(C)nnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 1.00
ADORA2B P29275 3/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
ADORA3 P0DMS8 1/20 0.34
PLK1 P53350 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
EPHB4 P54760 2/20 0.33

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
SCHEMBL21530720 0.88 ADORA2A (1.00) ADORA2AADORA2BALDH1A1SMN1; SMN2PDE4A
SCHEMBL21530653 0.85 ADORA2A (1.00) ADORA2AADORA2BALDH1A1SMN1; SMN2PDE4A
SCHEMBL21530640 0.83 ADORA2A (1.00) ADORA2AADORA2BALDH1A1SMN1; SMN2
SCHEMBL21530648 0.78 ADORA2A (1.00) ADORA2AADORA2BALDH1A1SMN1; SMN2PDE4A
SCHEMBL561996 0.78 ADORA2A (0.64) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL21530663 0.75 ADORA2A (1.00) ADORA2AADORA2BADORA3
SCHEMBL21530708 0.74 ADORA2A (0.65) ADORA2AADORA2BALDH1A1SMN1; SMN2PDE4A
SCHEMBL562841 0.73 ADORA2A (0.61) ADORA2AADORA2BALDH1A1SMN1; SMN2ADORA3
SCHEMBL562888 0.72 ADORA2A (0.57) ADORA2AADORA2BALDH1A1SMN1; SMN2ADORA3
SCHEMBL562031 0.72 ADORA2A (0.56) ADORA2AADORA2BALDH1A1SMN1; SMN2ADORA3

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
US-11220510-B2 Pyrrole tricyclic compounds as A2A / A2B inhibitors INCYTE CORPORATION (US) 2022-01-11 US claimed
US-20190337957-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-11-07 US claimed
US-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
US-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
US-11220510-B2 Pyrrole tricyclic compounds as A2A / A2B inhibitors INCYTE CORPORATION (US) 2022-01-11 US disclosed
US-11220510-B2 Pyrrole tricyclic compounds as A2A / A2B inhibitors INCYTE CORPORATION (US) 2022-01-11 US disclosed
US-20190337957-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-11-07 US disclosed
US-20190337957-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS INCYTE CORPORATION 2019-11-07 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 (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-20190337957-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA2B 2/4885ALDH1A1 1049/4885
US-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA2B 2/4885ALDH1A1 1049/4885
US-11220510-B2 Pyrrole tricyclic compounds as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA2B 2/4885ALDH1A1 1049/4885

“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.