SCHEMBL13531794

SCHEMBL13531794

CC(C)(C)Nc1nc(-c2cccc(N)c2C(C)(C)C)cn2ccnc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.41
SYK P43405 10/20 0.40
CD63 P08962 3/20 0.40
BTK Q06187 1/20 0.38
GSK3B P49841 1/20 0.33

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
SCHEMBL14878009 0.88 AURKA (0.41) AURKASYKCD63BTK
SCHEMBL13531793 0.80 BTK (0.46) AURKASYKBTK
SCHEMBL13531807 0.79 SYK (0.39) AURKASYKCD63BTK
SCHEMBL14878012 0.73 BTK (0.37) SYKBTK
SCHEMBL13531792 0.73 BTK (0.44) AURKASYKBTK
SCHEMBL12637969 0.69 AURKA (0.50) AURKASYKCD63
SCHEMBL13531785 0.69 HTR2C (0.47) AURKABTK
SCHEMBL1069035 0.67 AURKA (0.50) AURKASYKCD63
SCHEMBL5277013 0.66 AURKA (0.47) AURKASYKCD63
SCHEMBL20319061 0.66 NUDT1 (0.42) AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 AURKA 1148/4885SYK 5/4885CD63 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.