SCHEMBL8735617

SCHEMBL8735617

Cn1cc(-c2cccc(N)c2C(C)(C)C)cc(NC(C)(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.39
BTK Q06187 12/20 0.39
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35

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
SCHEMBL8735184 0.79 BTK (0.48) BTK
SCHEMBL8736917 0.77 BRD4 (0.35) BRD4BTKAURKATTKAURKB
SCHEMBL8736925 0.72 BTK (0.65) BTK
SCHEMBL3655731 0.67 BTK (0.54) BRD4BTK
SCHEMBL27333258 0.66 ALDH1A1 (0.56) BRD4AURKB
SCHEMBL8735172 0.65 MAP2K1 (0.35)
SCHEMBL3751483 0.65 BTK (0.40) BRD4BTK
SCHEMBL5130622 0.65 BTK (0.46) BRD4BTK
SCHEMBL1322005 0.63 BRD4 (0.44) BRD4BTKAURKATTKAURKB
SCHEMBL1038341 0.62 BTK (0.70) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822457-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2014-09-02 US disclosed
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ROCHE PALO ALTO LLC (US) 2014-07-10 US disclosed
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES (HK) 2012-05-24 US disclosed
US-8124604-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-02-28 US disclosed
US-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2011-05-05 US disclosed
US-7902194-B2 Inhibitors of bruton's tyrosine kinase Roche Palo Alto (US) 2011-03-08 US disclosed
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk ROCHE PALO ALTO LLC 2009-12-24 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 (4 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-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BRD4 398/4885BTK 1/4885AURKA 965/4885
US-20090318448-A1 7-Dimethylamino-3-(2-methyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-3H-quinazolin-4-one; asthma ; inhibit Btk BTK, LCK, SYK BRD4 65/4885BTK 1/4885AURKA 1121/4885
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN BRD4 398/4885BTK 1/4885AURKA 965/4885
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BRD4 398/4885BTK 1/4885AURKA 965/4885

“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.