SCHEMBL21530652

SCHEMBL21530652

CCCCCn1c2cc[nH]c2c(=O)n2c(C(F)(F)F)nnc12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.72
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA2B P29275 1/20 0.36
PLK1 P53350 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
PGR P06401 2/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL21530648 0.84 ADORA2A (1.00) ADORA2ASMN1; SMN2ALDH1A1ADORA2BPLK1
SCHEMBL563241 0.80 ADORA2B (0.58) ADORA2AADORA2B
SCHEMBL21530667 0.78 ADORA2A (1.00) ADORA2ASMN1; SMN2ALDH1A1ADORA2BPLK1
SCHEMBL561965 0.76 ADORA2A (0.44) ADORA2ASMN1; SMN2ALDH1A1ADORA2B
SCHEMBL21530680 0.71 ADORA2A (0.42) ADORA2ASMN1; SMN2ALDH1A1PLK1APOBEC3G
SCHEMBL21530650 0.69 ALDH1A1 (0.38) ADORA2ASMN1; SMN2ALDH1A1PLK1APOBEC3G
SCHEMBL1713268 0.68 ADORA2B (0.60) ADORA2AADORA2B
SCHEMBL21530655 0.66 ADORA2A (0.53) ADORA2AADORA2B
SCHEMBL21530641 0.65 MPO (0.63) ADORA2A
SCHEMBL562756 0.64 ADORA2A (0.54) ADORA2ASMN1; SMN2ALDH1A1

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-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 1/4885SMN1; SMN2 2747/4885ALDH1A1 1049/4885
US-20220213112-A1 PYRROLE TRICYCLIC COMPOUNDS AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885SMN1; SMN2 2747/4885ALDH1A1 1049/4885
US-11220510-B2 Pyrrole tricyclic compounds as A2A / A2B inhibitors ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885SMN1; SMN2 2747/4885ALDH1A1 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.