SCHEMBL8239765

SCHEMBL8239765

Cn1cc(-c2cnc3c(Nc4ccc(S(C)(=O)=O)cc4)nccn23)cn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.80
▸ AURKB Q96GD4 6/20 0.56
▸ PIP4K2A P48426 1/20 0.51
▸ PIP4K2B P78356 1/20 0.51
▸ PIP4K2C Q8TBX8 1/20 0.51
▸ FLT3 P36888 3/20 0.51
▸ CCNB2 O95067 4/20 0.50
▸ CDK1 P06493 4/20 0.50
▸ CCNB1 P14635 4/20 0.50
▸ CDK5 Q00535 4/20 0.50
▸ CDK5R1 Q15078 4/20 0.50
▸ CCNB3 Q8WWL7 4/20 0.50
▸ CCNT1 O60563 3/20 0.50
▸ CCNE2 O96020 3/20 0.50
▸ CCNE1 P24864 3/20 0.50
▸ CDK2 P24941 3/20 0.50
▸ CDK9 P50750 3/20 0.50
▸ TTK P33981 1/20 0.45
▸ MAPKAPK5 Q8IW41 3/20 0.43
▸ PTK6 Q13882 1/20 0.41

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
SCHEMBL8240172 0.89 AURKA (0.76) AURKAAURKBPIP4K2APIP4K2BPIP4K2C
SCHEMBL13157424 0.89 AURKA (0.76) AURKAAURKBPIP4K2APIP4K2BPIP4K2C
SCHEMBL8240846 0.89 AURKA (1.00) AURKAAURKBPIP4K2APIP4K2BPIP4K2C
SCHEMBL8240283 0.88 AURKA (0.66) AURKAAURKBPIP4K2APIP4K2BPIP4K2C
SCHEMBL8247530 0.86 AURKA (0.64) AURKAAURKBPIP4K2APIP4K2BPIP4K2C
SCHEMBL14530382 0.86 AURKA (0.71) AURKAAURKBTTKMAPKAPK5PTK6
SCHEMBL8240292 0.85 AURKA (0.70) AURKAAURKBTTKMAPKAPK5PTK6
SCHEMBL8247273 0.85 AURKA (0.69) AURKAAURKBTTKMAPKAPK5
SCHEMBL8247167 0.85 AURKA (0.69) AURKAAURKBFLT3TTKMAPKAPK5
SCHEMBL8241730 0.83 AURKA (0.67) AURKAAURKBTTKMAPKAPK5PTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 AURKA 40/4885AURKB 27/4885PIP4K2A 500/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885PIP4K2A 399/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 AURKA 91/4885AURKB 137/4885PIP4K2A 244/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKA 41/4885AURKB 138/4885PIP4K2A 385/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKA 5/4885AURKB 24/4885PIP4K2A 369/4885

“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.

Send feedback