SCHEMBL6256096

SCHEMBL6256096

N#Cc1c(N)nc2c(c1-c1ccco1)CCCC2

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.97
KDM4E B2RXH2 16/20 0.65
ALDH1A1 P00352 10/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
HPGD P15428 10/20 0.63
HTT P42858 4/20 0.63
USP2 O75604 3/20 0.63
ADORA2A P29274 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
MAPK1 P28482 1/20 0.60
BRCA1 P38398 1/20 0.60
MAPK10 P53779 1/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL6253708 0.83 HSD17B10 (0.69) HSD17B10KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL6252358 0.79 KDM4E (1.00) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL6251146 0.78 HSD17B10 (0.62) HSD17B10KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL17351373 0.77 KDM4E (0.97) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL17229222 0.77 HSD17B10 (0.61) HSD17B10KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL14680410 0.77 ALDH1A1 (0.69) HSD17B10KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL6255279 0.77 HSD17B10 (0.61) HSD17B10KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL1177057 0.76 KDM4E (1.00) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL6251531 0.76 HPGD (0.64) HSD17B10KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL18060118 0.76 HSD17B10 (0.63) HSD17B10KDM4EALDH1A1L3MBTL1HPGD

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 HSD17B10 3712/4885KDM4E 1736/4885ALDH1A1 4315/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 HSD17B10 3911/4885KDM4E 1684/4885ALDH1A1 3796/4885

“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.