SCHEMBL13531806

SCHEMBL13531806

CC(C)(C)Nc1nc(-c2cccc(N3CCc4cc(Br)ccc4S3(=O)=O)c2CO)cn2ccnc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 3/20 0.33
BTK Q06187 4/20 0.33
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32
ESR1 P03372 1/20 0.32
SYK P43405 1/20 0.32
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL13531805 0.89 EPHB4 (0.31) EPHB4KDRTEK
SCHEMBL13527024 0.86 BTK (0.34) BTKESR1SYK
SCHEMBL13523192 0.85 BTK (0.43) BTKESR1
SCHEMBL13531783 0.77 BTK (0.47) BTK
SCHEMBL13527021 0.76 BTK (0.33) BTKESR1
SCHEMBL14877996 0.76 BTK (0.46) BTK
SCHEMBL13512617 0.75 BTK (0.41) BTKESR1
SCHEMBL8735630 0.75 BTK (0.43) BTK
SCHEMBL13523193 0.75 BTK (0.34) BTKESR1
SCHEMBL13531803 0.70 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 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 EPHB4 4586/4885BTK 1/4885KDR 835/4885

“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.