SCHEMBL6252358

SCHEMBL6252358

N#Cc1c(N)nc2c(c1-c1ccccc1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 1.00
HSD17B10 Q99714 8/20 1.00
ALDH1A1 P00352 9/20 0.94
ADORA2A P29274 2/20 0.94
SMN1; SMN2 Q16637 1/20 0.94
HPGD P15428 9/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
NPSR1 Q6W5P4 1/20 0.76
TSHR P16473 3/20 0.73
HTT P42858 2/20 0.73
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
MDM2 Q00987 1/20 0.71
USP2 O75604 3/20 0.70
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.65
ADORA1 P30542 1/20 0.62

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
SCHEMBL17351373 0.99 KDM4E (0.97) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL1177057 0.97 KDM4E (1.00) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL31120389 0.87 KDM4E (0.78) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL6250232 0.86 KDM4E (0.79) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL31120380 0.86 KDM4E (0.76) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL6252484 0.84 KDM4E (0.73) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL6252385 0.84 KDM4E (1.00) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL6250908 0.83 KDM4E (0.92) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL17351540 0.83 KDM4E (0.71) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL16295335 0.83 KDM4E (0.71) KDM4EHSD17B10ALDH1A1ADORA2ASMN1; SMN2

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