SCHEMBL6257108

SCHEMBL6257108

N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccco1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.85
ADORA2A P29274 10/20 0.85
ADORA3 P0DMS8 8/20 0.74
KDM4E B2RXH2 6/20 0.69
MAPT P10636 5/20 0.69
NPSR1 Q6W5P4 2/20 0.69
RXFP1 Q9HBX9 2/20 0.69
MEN1 O00255 5/20 0.66
ALDH1A1 P00352 5/20 0.66
KMT2A Q03164 5/20 0.66
HPGD P15428 2/20 0.66
THRB P10828 1/20 0.66
ABL1 P00519 1/20 0.65
RET P07949 1/20 0.65
ALK Q9UM73 1/20 0.65
LMNA P02545 1/20 0.64
USP2 O75604 2/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TSHR P16473 1/20 0.64

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
SCHEMBL3095622 0.85 ADORA1 (1.00) ADORA1ADORA2AADORA3KDM4EMAPT
SCHEMBL13913708 0.81 RET (0.74) ADORA1ADORA2AKDM4EMAPTNPSR1
SCHEMBL13914414 0.81 RET (0.72) ADORA1ADORA2AKDM4ENPSR1RXFP1
SCHEMBL13913710 0.80 RET (0.73) ADORA1ADORA2AKDM4EMAPTNPSR1
SCHEMBL13914548 0.80 RET (0.75) ADORA1KDM4EMAPTNPSR1RXFP1
SCHEMBL13914431 0.79 RET (0.69) ADORA1ADORA2AKDM4ENPSR1RXFP1
SCHEMBL28427355 0.79 RET (1.00) ADORA1ADORA2AKDM4ENPSR1RXFP1
SCHEMBL13914553 0.78 RET (0.71) ADORA1ADORA2AADORA3KDM4EMAPT
SCHEMBL13914609 0.77 RET (0.76) ADORA1KDM4EMAPTNPSR1RXFP1
SCHEMBL13914570 0.77 RET (0.76) ADORA1ADORA2AADORA3KDM4EMAPT

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 13 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-1569751-A2 METHODS FOR PREPARING CATALYSTS ExxonMobil Research and Engineering Company (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
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
WO-2004045767-A2 METHODS FOR PREPARING CATALYSTS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2004-06-03 WO 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 ADORA1 3401/4885ADORA2A 1929/4885ADORA3 3605/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 ADORA1 1798/4885ADORA2A 877/4885ADORA3 1836/4885

“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.