Sugi Predict

Sugi Predict / Compounds / SCHEMBL7058856

SCHEMBL7058856

SCHEMBL7058856

N#Cc1cc2c(=O)[nH]ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.38
▸ ATIC P31939 2/20 0.37
▸ CHEK1 O14757 3/20 0.35
▸ PARP1 P09874 4/20 0.35
▸ GRM5 P41594 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PGR P06401 2/20 0.31

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
SCHEMBL7835046 0.74 PARP1 (0.39) CHEK1PARP1GRM5KDM4EALDH1A1
SCHEMBL1774094 0.73 PARP1 (0.43) CHEK1PARP1GRM5KDM4EALDH1A1
SCHEMBL4341520 0.73 ALDH1A1 (0.47) CHEK1PARP1GRM5KDM4EALDH1A1
SCHEMBL12320907 0.71 CYP2A6 (0.32) —
SCHEMBL15716637 0.70 CYP2A6 (0.42) CHEK1PARP1GRM5KDM4EALDH1A1
SCHEMBL15728254 0.69 PARP1 (0.35) PARP1GRM5KDM4EALDH1A1LMNA
SCHEMBL20586642 0.69 CYP2A6 (0.41) CHEK1PARP1KDM4EALDH1A1LMNA
SCHEMBL22323693 0.69 MGLL (0.41) CHEK1PARP1KDM4EALDH1A1LMNA
SCHEMBL5849531 0.69 TMIGD3 (0.51) PARP1KDM4EALDH1A1LMNACYP1A2
SCHEMBL12219884 0.69 PARP1 (0.35) PARP1GRM5KDM4EALDH1A1LMNA

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-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 — — US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 — — US disclosed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 — — EP disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 — — US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 — — US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 — — EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 — — WO disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 — — WO 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 (2 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM MCL1 350/4885ATIC 4335/4885CHEK1 3994/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM MCL1 350/4885ATIC 4335/4885CHEK1 3994/4885

“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.