SCHEMBL8239650

SCHEMBL8239650

CN(C)c1cccc(Nc2nccn3c(-c4cn(C)nc4-c4cccc(NC(=O)c5ccccc5)c4)cnc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.44
▸ FYN P06241 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ BRAF P15056 2/20 0.40
▸ TEK Q02763 1/20 0.40
▸ RIPK2 O43353 1/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ SYK P43405 2/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ GPR142 Q7Z601 1/20 0.38
▸ LCK P06239 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38

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
SCHEMBL14538580 0.90 FYN (0.43) TTKFYNBRAFAURKA
SCHEMBL14537088 0.90 FYN (0.45) TTKFYNBRAFTEKAURKA
SCHEMBL8241257 0.87 BRD4 (0.43) TTKFYNBTKBRAFAURKA
SCHEMBL14536734 0.87 FYN (0.46) TTKFYNBRAFAURKAKDR
SCHEMBL8426780 0.86 FYN (0.47) TTKFYNBRAFAURKAEGFR
SCHEMBL8241264 0.85 FYN (0.46) TTKFYNAURKASYKEGFR
SCHEMBL12473556 0.79 FYN (0.47) TTKFYNAURKAEGFR
SCHEMBL8240142 0.78 FYN (0.54) TTKFYNBRAFAURKASYK
SCHEMBL8240815 0.78 FYN (0.44) TTKFYNAURKAEGFR
SCHEMBL8241294 0.78 FYN (0.44) TTKFYNAURKAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217611-B1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 — — EP disclosed
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — US disclosed
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 — — US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 — — US disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 — — US disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 — — US disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO 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
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 — — US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 — — 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 (5 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-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A TTK 68/4885FYN 1691/4885BTK 467/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB TTK 40/4885FYN 2520/4885BTK 2368/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 TTK 106/4885FYN 1797/4885BTK 593/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A TTK 45/4885FYN 655/4885BTK 167/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 TTK 69/4885FYN 334/4885BTK 283/4885

“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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