Sugi Predict

Sugi Predict / Compounds / SCHEMBL4495277

SCHEMBL4495277

SCHEMBL4495277

COc1c(N)cc(C2(C)CC2)cc1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30
▸ TUBB2A Q13885 1/20 0.30
▸ TUBB8 Q3ZCM7 1/20 0.30
▸ TUBA3E Q6PEY2 1/20 0.30
▸ TUBA1A Q71U36 1/20 0.30
▸ TUBA1C Q9BQE3 1/20 0.30
▸ TUBB6 Q9BUF5 1/20 0.30
▸ TUBB2B Q9BVA1 1/20 0.30
▸ TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL4031133 0.78 MAPK14 (0.35) ALDH1A1HSD17B10
SCHEMBL14340692 0.77 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL4641362 0.75 CA2 (0.43) ALDH1A1TDP1TSHRHSD17B10TUBB4A
SCHEMBL10321688 0.72 MAPK14 (0.40) —
SCHEMBL9913605 0.71 TDP1 (0.42) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL3692439 0.71 OPRD1 (0.34) —
SCHEMBL16608098 0.69 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL31063214 0.68 CA2 (0.37) HSD17B10
SCHEMBL15933604 0.67 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TUBB4ATUBB
SCHEMBL4621087 0.67 ACHE (0.52) ALDH1A1TDP1CYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 — — US disclosed
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 — — US disclosed
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 — — US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed
EP-1881955-A1 BIS-AMINATION OF ARYL HALIDES Boehringer Ingelheim International GmbH (DE) 2008-01-30 — — EP disclosed
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 — — EP disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 — — US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 — — US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 — — US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 — — US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 — — US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 — — US disclosed
WO-2006124283-A1 BIS-AMINATION OF ARYL HALIDES BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-23 — — WO disclosed
US-20060258888-A1 Bis-Amination of Aryl Halides BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 — — US disclosed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 — — EP disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 — — EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 — — WO disclosed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 — — 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 (5 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-20090023701-A1 Cytokine Inhibitors IL1B, TNF, IL1A ALDH1A1 297/4885TDP1 4566/4885CYP3A4 1555/4885
US-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN ALDH1A1 272/4885TDP1 4453/4885CYP3A4 1293/4885
US-20060258888-A1 Bis-Amination of Aryl Halides ABL1, AOC2, AADAC ALDH1A1 86/4885TDP1 1294/4885CYP3A4 358/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A ALDH1A1 297/4885TDP1 4566/4885CYP3A4 1555/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN ALDH1A1 281/4885TDP1 4276/4885CYP3A4 1532/4885

“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.