SCHEMBL14507591

SCHEMBL14507591

Cn1cc(-c2cnc3c(Nc4ccccn4)nc(CCNC(=O)OCc4ccccc4)cn23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.41
▸ TTK P33981 2/20 0.40
▸ AURKB Q96GD4 4/20 0.39
▸ AURKA O14965 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ YES1 P07947 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ KCNA5 P22460 2/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ PTK6 Q13882 1/20 0.38
▸ PDE1B Q01064 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ FGFR3 P22607 1/20 0.35

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
SCHEMBL14538420 0.88 TTK (0.45) TTKAURKBMAPK1NTRK1YES1
SCHEMBL14536776 0.86 MERTK (0.41) TTKAURKBMAPK1NTRK1YES1
SCHEMBL14507603 0.85 AURKB (0.39) TTKAURKBAURKAMAPK1NTRK1
SCHEMBL8240929 0.85 AURKA (0.39) TTKAURKBAURKAMAPK1NTRK1
SCHEMBL8241305 0.84 TTK (0.42) TTKAURKBMAPK1NTRK1YES1
SCHEMBL14536767 0.84 TTK (0.40) TTKAURKBAURKAPTK6FGFR1
SCHEMBL14507582 0.84 AURKB (0.43) AURKBAURKA
SCHEMBL14536800 0.84 AURKB (0.39) TTKAURKBAURKAPTK6FGFR1
SCHEMBL14507581 0.84 AURKB (0.53) AURKBAURKA
SCHEMBL8246875 0.83 TTK (0.43) TTKAURKBMAPK1NTRK1YES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — 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 (2 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-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A ANPEP 2360/4885TTK 45/4885AURKB 138/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 ANPEP 1525/4885TTK 69/4885AURKB 24/4885

“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.

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