SCHEMBL1542673

SCHEMBL1542673

O=C1c2ccc(C3CC3)cc2CCN1c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)nc3)n2)c1CO

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.58
AURKA O14965 1/20 0.41
CD63 P08962 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL1542513 0.89 BTK (0.57) BTK
SCHEMBL1542725 0.88 BTK (0.68) BTK
SCHEMBL3176399 0.86 BTK (0.60) BTK
SCHEMBL3133398 0.76 BTK (0.74) BTK
SCHEMBL3129060 0.75 BTK (0.87) BTK
SCHEMBL1542557 0.75 BTK (0.44) BTKAURKACD63SYK
SCHEMBL1432506 0.74 BTK (0.79) BTK
SCHEMBL3143022 0.74 BTK (0.73) BTK
SCHEMBL13547714 0.74 BTK (0.49) BTK
SCHEMBL1577261 0.74 BTK (0.61) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2307418-B1 NOVEL PHENYLIMIDAZOPYRAZINES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
EP-2307418-B1 NOVEL PHENYLIMIDAZOPYRAZINES HOFFMANN LA ROCHE (CH) 2014-03-12 EP 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-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-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
EP-2307418-A1 NOVEL PHENYLIMIDAZOPYRAZINES F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010006970-A1 NOVEL PHENYLIMIDAZOPYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
WO-2010006970-A1 NOVEL PHENYLIMIDAZOPYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 BTK 1/4885AURKA 1148/4885CD63 4441/4885

“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.