SCHEMBL1542371

SCHEMBL1542371

c1ccc(-c2cn3ccnc3cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.49
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
DYRK1A Q13627 2/20 0.46
KDR P35968 2/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
PRKACA P17612 1/20 0.46
CDK8 P49336 1/20 0.46
MAP2K1 Q02750 1/20 0.46
ACVR1 Q04771 1/20 0.46
MAP4K2 Q12851 1/20 0.46
ROCK1 Q13464 1/20 0.46
AURKB Q96GD4 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44

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
SCHEMBL21644144 0.86 DYRK1A (0.59) CHEK1GSK3BDYRK1ATGFBR1FYN
SCHEMBL13336494 0.83 NPC1 (0.51) ALDH1A1KDM4EHSD17B10DYRK1AKDR
SCHEMBL24155477 0.81 MEN1 (0.44) CHEK1GSK3BDYRK1AKDRMAP4K4
SCHEMBL16304078 0.79 KEAP1 (0.44) ALDH1A1KDM4EDYRK1ATGFBR1RET
SCHEMBL20190385 0.79 MCHR1 (0.51) ALDH1A1KDM4EHPGDDYRK1AMKNK1
SCHEMBL30549526 0.78 TGFBR1 (0.44) KDM4EDYRK1ACDK8MAP2K1ROCK1
SCHEMBL19781540 0.76 CYP1A2 (0.54) ALDH1A1KDM4EGLADYRK1AMAP4K4
SCHEMBL20208560 0.76 KDM4E (0.55) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL26146291 0.75 MET (0.53) CHEK1FYNPIM1PIM3
SCHEMBL1576521 0.74 DYRK1A (0.73) CHEK1ALDH1A1DYRK1AKDRMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143306-A1 LUCIFERASE LINKED IMMUNOSORBENT ASSAY Institut Pasteur (FR) 2023-03-08 EP disclosed
CN-102066377-B Novel phenylimidazopyrazines HOFFMANN LA ROCHE 2014-11-19 CN disclosed
EP-2307418-B1 NOVEL PHENYLIMIDAZOPYRAZINES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
JP-5341187-B2 2013-11-13 JP 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
CN-102066377-A Novel phenylimidazopyrazines HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2307418-A1 NOVEL PHENYLIMIDAZOPYRAZINES F. Hoffmann-La Roche AG (CH) 2011-04-13 EP 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

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 CHEK1 699/4885GSK3B 1162/4885ALDH1A1 3855/4885

“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.