SCHEMBL6252458

SCHEMBL6252458

COc1ccc(-c2cc(-c3cccs3)c(C#N)c(N)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.74
▸ ADORA1 P30542 8/20 0.74
▸ PIM1 P11309 2/20 0.69
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ KDM4E B2RXH2 8/20 0.64
▸ HPGD P15428 8/20 0.64
▸ ALDH1A1 P00352 7/20 0.64
▸ GLA P06280 4/20 0.64
▸ GAA P10253 2/20 0.64
▸ CASP1 P29466 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ NPSR1 Q6W5P4 6/20 0.62
▸ RXFP1 Q9HBX9 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HCRTR1 O43613 1/20 0.60
▸ ADORA2B P29275 2/20 0.58
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 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
SCHEMBL6253649 0.91 ADORA2A (0.74) ADORA2AADORA1PIM1MEN1KMT2A
SCHEMBL31120361 0.84 ADORA2A (0.79) ADORA2AADORA1PIM1MEN1KMT2A
SCHEMBL6250197 0.84 MEN1 (0.87) ADORA2AADORA1PIM1MEN1KMT2A
SCHEMBL13514637 0.82 ALDH1A1 (0.66) ADORA2AADORA1PIM1MEN1KMT2A
SCHEMBL6252557 0.82 KMT2A (0.79) ADORA2AADORA1PIM1MEN1KMT2A
SCHEMBL31120373 0.82 KMT2A (0.79) ADORA2AADORA1PIM1MEN1KMT2A
SCHEMBL6250924 0.80 PDE3A (0.71) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL28185534 0.79 KDM4E (0.57) ADORA2AADORA1PIM1MEN1KMT2A
SCHEMBL22215646 0.79 ALDH1A1 (0.82) ADORA2AADORA1PIM1MEN1KMT2A
SCHEMBL6253604 0.79 MEN1 (0.67) ADORA2AADORA1PIM1MEN1KMT2A

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 ADORA2A 1929/4885ADORA1 3401/4885PIM1 656/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 ADORA2A 877/4885ADORA1 1798/4885PIM1 779/4885

“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.

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