SCHEMBL8737458

SCHEMBL8737458

CC(C)(C)c1c(N)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.36
LIPG Q9Y5X9 8/20 0.36
CD44 P16070 1/20 0.31
JAK2 O60674 3/20 0.30
BTK Q06187 3/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL24457824 0.85 LPL (0.36) LPLLIPGJAK2BTK
SCHEMBL14852840 0.83 LPL (0.33) LPLLIPGCA1CA2CA9
SCHEMBL190545 0.80 LPL (0.40) LPLLIPGCD44JAK2BTK
SCHEMBL29842912 0.80 LPL (0.40) LPLLIPGCD44JAK2BTK
SCHEMBL18133829 0.80 JAK2 (0.40) LPLLIPGJAK2BTK
SCHEMBL106624 0.80 LPL (0.31) LPLLIPG
SCHEMBL168780 0.78 LPL (0.46) LPLLIPGCD44CA1CA2
SCHEMBL31380588 0.78 LPL (0.46) LPLLIPGCD44CA1CA2
SCHEMBL29470921 0.78 LPL (0.36) LPLLIPGJAK2BTKCA1
SCHEMBL29503402 0.77 CYP3A4 (0.46) LPLLIPGCD44JAK2BTK

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 11 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-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-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ROCHE PALO ALTO LLC (US) 2014-07-10 US disclosed
US-8426409-B2 7-tert-Butyl-3-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-3H-quinazolin-4-one; arthritis; inhibit Btk ROCHE PALO ALTO LLC (US) 2013-04-23 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-20100016302-A1 7-tert-Butyl-3-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-3H-quinazolin-4-one; arthritis; inhibit Btk ROCHE PALO ALTO LLC 2010-01-21 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 (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-20110105479-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN LPL 3751/4885LIPG 2990/4885CD44 4501/4885
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 LPL 4125/4885LIPG 3650/4885CD44 4529/4885
US-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN LPL 3751/4885LIPG 2990/4885CD44 4501/4885
US-20140194413-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN LPL 3751/4885LIPG 2990/4885CD44 4501/4885
US-20100016302-A1 7-tert-Butyl-3-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-3H-quinazolin-4-one; arthritis; inhibit Btk BTK, LCK, LYN LPL 3251/4885LIPG 2799/4885CD44 4576/4885

“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.