Sugi Predict

Sugi Predict / Compounds / SCHEMBL21530680

SCHEMBL21530680

SCHEMBL21530680

CCCCCn1c2ccn(S(=O)(=O)c3ccccc3)c2c(=O)n2c(C(F)(F)F)nnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ BRD4 O60885 1/20 0.36
▸ PLK1 P53350 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ HTT P42858 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PGR P06401 2/20 0.32
▸ RORA P35398 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 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
SCHEMBL21530664 0.87 ADORA2A (0.56) ADORA2AALDH1A1SMN1; SMN2BRD4PLK1
SCHEMBL21530650 0.83 ALDH1A1 (0.38) ADORA2AALDH1A1SMN1; SMN2BRD4PLK1
SCHEMBL21530652 0.71 ADORA2A (0.72) ADORA2AALDH1A1SMN1; SMN2PLK1APOBEC3G
SCHEMBL21530639 0.69 ADORA2A (0.50) ADORA2AALDH1A1SMN1; SMN2BRD4PLK1
SCHEMBL21530640 0.59 ADORA2A (1.00) ADORA2AALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL24165082 0.58 PDE4A (0.40) ALDH1A1SMN1; SMN2BRD4HTTKDM4E
SCHEMBL25572314 0.58 TDP1 (0.46) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL23159532 0.58 HTR6 (0.53) ALDH1A1BRD4HTTLMNAPDE4A
SCHEMBL14447461 0.57 ALDH1A1 (0.46) ADORA2AALDH1A1SMN1; SMN2PLK1APOBEC3G
SCHEMBL726112 0.57 TSHR (0.52) ALDH1A1SMN1; SMN2LMNACYP2C19TSHR

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 1/4885ALDH1A1 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.