SCHEMBL8247289

SCHEMBL8247289

Cn1cc(-c2cnc3c(Nc4ccc5ncccc5c4)nccn23)cn1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.61
▸ ERBB2 P04626 2/20 0.61
▸ ERBB4 Q15303 2/20 0.61
▸ AURKA O14965 6/20 0.59
▸ AURKB Q96GD4 5/20 0.56
▸ MET P08581 9/20 0.45
▸ PDE3B Q13370 2/20 0.45
▸ PDE3A Q14432 2/20 0.45
▸ PTK6 Q13882 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ WNT1 P04628 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ GRM4 Q14833 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
SCHEMBL8240162 0.89 AURKA (0.62) EGFRERBB2ERBB4AURKAAURKB
SCHEMBL8240330 0.88 AURKA (0.63) EGFRERBB2ERBB4AURKAAURKB
SCHEMBL8246244 0.87 AURKA (0.60) EGFRERBB2ERBB4AURKAAURKB
SCHEMBL8240502 0.83 AURKA (0.60) EGFRERBB2ERBB4AURKAAURKB
SCHEMBL8240367 0.83 AURKA (0.60) EGFRERBB2ERBB4AURKAAURKB
SCHEMBL8247273 0.82 AURKA (0.69) AURKAAURKB
SCHEMBL8240268 0.82 AURKA (0.58) EGFRERBB2ERBB4AURKAAURKB
SCHEMBL8246860 0.82 AURKA (0.57) EGFRERBB2ERBB4AURKAAURKB
SCHEMBL12404395 0.82 AURKA (0.63) EGFRERBB2ERBB4AURKAAURKB
SCHEMBL8241173 0.82 AURKA (0.60) EGFRERBB2ERBB4AURKAAURKB

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 EGFR 723/4885ERBB2 531/4885ERBB4 591/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB EGFR 1732/4885ERBB2 1341/4885ERBB4 1368/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 EGFR 1414/4885ERBB2 283/4885ERBB4 537/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A EGFR 604/4885ERBB2 81/4885ERBB4 229/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 EGFR 966/4885ERBB2 216/4885ERBB4 511/4885

“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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