SCHEMBL21530640

SCHEMBL21530640

CCCCCn1c2c(-c3ccccc3)c[nH]c2c(=O)n2c(C)nnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 1.00
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
ADORA2B P29275 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL21530663 0.86 ADORA2A (1.00) ADORA2AADORA2B
SCHEMBL21530645 0.83 ADORA2A (1.00) ADORA2AALDH1A1SMN1; SMN2ADORA2B
SCHEMBL21530720 0.81 ADORA2A (1.00) ADORA2AALDH1A1SMN1; SMN2ADORA2B
SCHEMBL21530653 0.79 ADORA2A (1.00) ADORA2AALDH1A1SMN1; SMN2ADORA2BKDM4E
SCHEMBL561761 0.77 ADORA2A (0.63) ADORA2AALDH1A1TSHRADORA2BKDM4E
SCHEMBL21530648 0.74 ADORA2A (1.00) ADORA2AALDH1A1SMN1; SMN2ADORA2B
SCHEMBL561996 0.72 ADORA2A (0.64) ADORA2AADORA2B
SCHEMBL562813 0.72 ADORA2B (0.56) ADORA2ATSHRADORA2B
SCHEMBL21530664 0.71 ADORA2A (0.56) ADORA2AALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL562116 0.69 ADORA2A (0.52) ADORA2AALDH1A1SMN1; SMN2TSHRADORA2B

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

“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.