Sugi Predict

Sugi Predict / Compounds / SCHEMBL110082

SCHEMBL110082

SCHEMBL110082

COc1ccccc1-c1ccc(Nc2ccc(C(=O)O)cc2)c(C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.48
▸ DHODH Q02127 2/20 0.48
▸ PGR P06401 2/20 0.46
▸ AR P10275 2/20 0.46
▸ XDH P47989 1/20 0.46
▸ FFAR2 O15552 1/20 0.44
▸ PRKCQ Q04759 1/20 0.43
▸ AURKA O14965 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ CDC25B P30305 1/20 0.42

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
SCHEMBL13284284 0.83 GAA (0.56) HPGDSDHODHAURKAKDM4EAPAF1
SCHEMBL110107 0.83 LMNA (0.50) XDHKDM4EAPAF1RECQLCASP6
SCHEMBL1222758 0.75 RXRA (0.58) HPGDSDHODHXDHFFAR2KDM4E
SCHEMBL5442670 0.74 AURKA (0.67) HPGDSAURKAAKR1C3AKR1C2
SCHEMBL12309616 0.73 — —
SCHEMBL4221155 0.73 AKR1C3 (0.54) DHODHKDM4EAPAF1RECQLCASP6
SCHEMBL28788987 0.73 XDH (0.51) DHODHPGRARXDHFFAR2
SCHEMBL22453646 0.72 RECQL (0.61) DHODHKDM4EAPAF1RECQLCASP6
SCHEMBL2040112 0.71 CA12 (0.50) XDH
SCHEMBL4593706 0.70 CDC25B (0.74) AURKAAKR1C3AKR1C2CDC25B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 — — US disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 — — US disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 — — US disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 — — EP disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 — — EP disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 — — EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 — — 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 (1 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 HPGDS 1288/4885DHODH 3348/4885PGR 1833/4885

“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.