SCHEMBL6250872

SCHEMBL6250872

CCCc1cc(C)nc(N)c1C#N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.65
ALDH1A1 P00352 8/20 0.65
HPGD P15428 7/20 0.65
GAA P10253 1/20 0.65
MAPK1 P28482 2/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 5/20 0.49
RXFP1 Q9HBX9 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PPARG P37231 1/20 0.47
STAT3 P40763 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
IKBKB O14920 2/20 0.41
HTT P42858 2/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL6253707 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDGAAMAPK1
SCHEMBL6251961 0.86 KDM4E (0.69) KDM4EALDH1A1HPGDGAAMAPK1
SCHEMBL23860810 0.82 MAPK1 (0.49) KDM4EALDH1A1HPGDGAAMAPK1
SCHEMBL317616 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDGAAMAPK1
SCHEMBL20186988 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDGAAMAPK1
SCHEMBL23860788 0.72 MAPK1 (0.41) KDM4EALDH1A1HPGDGAAMAPK1
SCHEMBL16377044 0.72 KDM4E (0.67) KDM4EALDH1A1HPGDGAAMAPK1
SCHEMBL15163923 0.70 KDM4E (0.65) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL23811256 0.69 KDM4E (0.53) KDM4EALDH1A1HPGDGAAMAPK1
SCHEMBL18977330 0.68 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAMAPK1

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
EP-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 EP claimed
EP-1569932-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 EP claimed
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION (US) 2004-07-22 US claimed
WO-2004055015-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 WO claimed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 WO claimed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 US claimed
EP-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 EP disclosed
EP-1569932-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 EP disclosed
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION (US) 2004-07-22 US disclosed
WO-2004055015-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 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-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP2K2, MAP3K2 KDM4E 1736/4885ALDH1A1 4315/4885HPGD 1207/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 KDM4E 1684/4885ALDH1A1 3796/4885HPGD 806/4885

“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.