Sugi Predict

Sugi Predict / Compounds / SCHEMBL700222

SCHEMBL700222

SCHEMBL700222

CC1(C)OB(c2ccc(NCCN3CCOCC3)nc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.45
▸ FYN P06241 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CYP1A2 P05177 8/20 0.43
▸ CYP3A4 P08684 6/20 0.43
▸ CYP2D6 P10635 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CHRM1 P11229 1/20 0.42
▸ ALOX15 P16050 4/20 0.42
▸ TLR9 Q9NR96 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
SCHEMBL171459 0.83 GAA (0.44) RAB9AALDH1A1TSHRLMNAKDM4E
SCHEMBL1485000 0.81 HRH3 (0.42) CYP1A2CYP2D6ALDH1A1CHRM1MEN1
SCHEMBL7879463 0.79 DGAT1 (0.47) NPC1TSHR
SCHEMBL5504491 0.79 LCK (0.49) KDRRAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL7936724 0.78 CYP3A4 (0.52) KDRFYNNPC1RAB9ACYP1A2
SCHEMBL17677959 0.78 CYP3A4 (0.41) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL9906435 0.78 DGAT1 (0.47) CYP1A2CYP2D6ALDH1A1TSHRLMNA
SCHEMBL143358 0.78 HRH3 (0.45) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL13349310 0.77 KDR (0.49) KDRFYNNPC1RAB9ACYP1A2
SCHEMBL22674352 0.77 DGAT1 (0.43) KDR

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 — — US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — US disclosed
EP-2858990-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC (US) 2018-05-16 — — EP disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 — — US disclosed
US-9561231-B2 Pyridinone and pyridazinone derivatives ABBVIE INC. (US) 2017-02-07 — — US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — US disclosed
US-20160280699-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 — — US disclosed
EP-3049403-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 — — EP disclosed
EP-2483277-B1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-12-02 — — EP disclosed
US-9175009-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-11-03 — — US disclosed
EP-2483277-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-08-08 — — EP disclosed
US-20120190669-A1 OXINDOLE COMPOUNDS CYLENE PHARMACEUTICALS, INC. (US) 2012-07-26 — — US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 — — EP disclosed
US-8124649-B2 Oxindole compounds CYLENE PHARMACEUTICALS, INC. (US) 2012-02-28 — — US disclosed
EP-2307421-A1 OXINDOLE COMPOUNDS Cylene Pharmaceuticals, Inc. (US) 2011-04-13 — — EP disclosed
WO-2011036284-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — US disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 — — WO disclosed
US-20100041635-A1 OXINDOLE COMPOUNDS CYLENE PHARMACEUTICALS, INC. 2010-02-18 — — US disclosed
WO-2010002933-A1 OXINDOLE COMPOUNDS CYLENE PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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 (7 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-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 KDR 2065/4885FYN 661/4885NPC1 894/4885
US-20100041635-A1 OXINDOLE COMPOUNDS FLT3, PIM1, PIM2 KDR 200/4885FYN 32/4885NPC1 4417/4885
US-20120190669-A1 OXINDOLE COMPOUNDS FLT3, PIM1, PIM2 KDR 200/4885FYN 32/4885NPC1 4417/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 KDR 1072/4885FYN 794/4885NPC1 2264/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 KDR 1072/4885FYN 794/4885NPC1 2264/4885
US-20160280699-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT KDR 1136/4885FYN 943/4885NPC1 4114/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 KDR 1072/4885FYN 794/4885NPC1 2264/4885

“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.