SCHEMBL650307

SCHEMBL650307

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.42
KLKB1 P03952 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL29936480 0.88 DGAT1 (0.42) DGAT1KLKB1MAPT
SCHEMBL1352880 0.88 DGAT1 (0.42) DGAT1KLKB1MAPT
SCHEMBL2277521 0.87 DGAT1 (0.38) DGAT1
SCHEMBL12402542 0.87 DGAT1 (0.36) DGAT1KLKB1MAPT
SCHEMBL2346604 0.87 DGAT1 (0.36) DGAT1KLKB1MAPT
SCHEMBL13858243 0.87 DGAT1 (0.40) DGAT1KLKB1MAPT
SCHEMBL1372546 0.86 DGAT1 (0.41) DGAT1KLKB1MAPT
SCHEMBL3428480 0.85 DGAT1 (0.36) DGAT1KLKB1MAPT
SCHEMBL1369168 0.84 DGAT1 (0.39) DGAT1KLKB1MAPT
SCHEMBL21678405 0.84 DGAT1 (0.41) DGAT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US claimed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US claimed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 US claimed
US-9187487-B2 Azaindole derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2015-11-17 US disclosed
EP-2710006-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2014-03-26 EP disclosed
US-20140073626-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS Principia Biopharma (US) 2014-03-13 US disclosed
WO-2012158785-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 WO disclosed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 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 (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-20140073626-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS BMX, BLK, ITK DGAT1 3759/4885KLKB1 1332/4885MAPT 3278/4885
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 DGAT1 4730/4885KLKB1 2373/4885MAPT 3705/4885
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 DGAT1 4730/4885KLKB1 2373/4885MAPT 3705/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 DGAT1 498/4885KLKB1 4280/4885MAPT 1112/4885
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK1 DGAT1 4681/4885KLKB1 2242/4885MAPT 3701/4885
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 DGAT1 4730/4885KLKB1 2373/4885MAPT 3705/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 DGAT1 498/4885KLKB1 4280/4885MAPT 1112/4885

“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.