SCHEMBL6253909

SCHEMBL6253909

Cc1cc(-c2ccc(Br)cc2)c(C#N)c(N)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.74
ALDH1A1 P00352 6/20 0.74
HPGD P15428 6/20 0.74
NPSR1 Q6W5P4 3/20 0.74
RXFP1 Q9HBX9 2/20 0.74
PPARG P37231 1/20 0.74
STAT3 P40763 1/20 0.74
NR2E3 Q9Y5X4 1/20 0.74
NCOR2 Q9Y618 1/20 0.74
HSD17B10 Q99714 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.72
TDP1 Q9NUW8 2/20 0.59
MAPK14 Q16539 2/20 0.58
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ADORA1 P30542 6/20 0.55
ADORA2A P29274 5/20 0.55
MAPT P10636 4/20 0.50
PKM P14618 3/20 0.50
ALOX12 P18054 3/20 0.50

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
SCHEMBL11297837 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL28687495 0.84 MAPK14 (0.77) KDM4EALDH1A1HPGDNPSR1TDP1
SCHEMBL31120375 0.84 ADORA1 (0.78) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL11125327 0.83 KDM4E (0.75) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL6252443 0.81 KDM4E (0.55) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL31120351 0.79 ADORA1 (0.83) KDM4EALDH1A1HPGDNPSR1PPARG
SCHEMBL31695327 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL6252188 0.79 IKBKB (0.67) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL31120343 0.78 ADORA1 (0.78) KDM4EALDH1A1HPGDNPSR1RXFP1
SCHEMBL31139635 0.78 ADORA1 (0.78) KDM4EALDH1A1TDP1MAPK14MEN1

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.