Sugi Predict

Sugi Predict / Compounds / SCHEMBL110107

SCHEMBL110107

SCHEMBL110107

COc1ccc(-c2ccc(Nc3ccc(C(=O)O)cc3)c(C#N)c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ XDH P47989 2/20 0.47
▸ AKR1C3 P42330 4/20 0.43
▸ AKR1C2 P52895 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ ACLY P53396 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ CASP8 Q14790 1/20 0.40

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
SCHEMBL144185 0.85 JAK2 (0.44) JAK2
SCHEMBL13284617 0.83 GAA (0.54) LMNAMAPK1HTTRAB9AAKR1C3
SCHEMBL110082 0.83 HPGDS (0.48) XDHAKR1C3AKR1C2IDO1KDM4E
SCHEMBL109995 0.80 GPR119 (0.48) JAK2
SCHEMBL3643490 0.78 LMNA (0.75) LMNAMAPK1HTTRAB9AJAK2
SCHEMBL30595083 0.78 LMNA (0.75) LMNAMAPK1HTTRAB9AJAK2
SCHEMBL26773595 0.70 KDM4E (0.60) LMNAKDM4E
SCHEMBL2035204 0.70 KDM4E (0.56) LMNAXDHKDM4E
SCHEMBL31493230 0.69 HTT (1.00) LMNAMAPK1HTTRAB9AALDH1A1
SCHEMBL503994 0.69 HTT (1.00) LMNAMAPK1HTTRAB9AALDH1A1

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 LMNA 4273/4885MAPK1 139/4885HTT 3054/4885

“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.