SCHEMBL1542273

SCHEMBL1542273

Brc1cn2ccnc2c(Nc2ccc(N3CCOCC3)nc2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.53
SYK P43405 10/20 0.52
CD63 P08962 4/20 0.52
BTK Q06187 3/20 0.49
PTK6 Q13882 2/20 0.49
FLT3 P36888 2/20 0.49
JAK2 O60674 2/20 0.49
NTRK1 P04629 1/20 0.49
ROS1 P08922 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
IGF1R P08069 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20005722 0.87 AURKA (0.65) AURKASYKCD63BTKPTK6
SCHEMBL30299739 0.84 FLT3 (0.47) AURKABTKPTK6FLT3IGF1R
SCHEMBL25286465 0.84 FLT3 (0.47) AURKABTKPTK6FLT3IGF1R
SCHEMBL1542134 0.79 AURKA (0.48) AURKASYKCD63BTKPTK6
SCHEMBL2478709 0.79 SYK (0.67) AURKASYKCD63BTKPTK6
SCHEMBL15550736 0.78 SYK (0.65) AURKASYKCD63IGF1R
SCHEMBL15552320 0.77 SYK (0.56) AURKASYKCD63BTKPTK6
SCHEMBL2885445 0.77 SYK (0.83) SYKBTKPTK6FLT3JAK2
SCHEMBL2476779 0.77 SYK (0.66) AURKASYKCD63BTKPTK6
SCHEMBL1067225 0.77 AURKA (0.49) AURKASYKCD63BTKPTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307418-B1 NOVEL PHENYLIMIDAZOPYRAZINES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
WO-2013188856-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-12-19 WO 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
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 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.