SCHEMBL5139537

SCHEMBL5139537

O=c1[nH]nc(-c2c[nH]nc2-c2ccccn2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ROCK1 Q13464 4/20 0.46
TSHR P16473 2/20 0.44
PRMT5 O14744 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PIM1 P11309 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL28768625 0.85 LRRK2 (0.65) LRRK2ATMNPSR1ROCK1TSHR
SCHEMBL5201604 0.82 PARP1 (0.44) LRRK2ROCK1TSHRPRMT5PIM1
SCHEMBL3463943 0.77 KDM4E (0.48) LRRK2PIM1KDM4EALDH1A1POLB
SCHEMBL1251558 0.76 LRRK2 (0.55) LRRK2ATMNPSR1ROCK1TSHR
SCHEMBL16535289 0.74 LRRK2 (0.61) LRRK2ATMNPSR1ROCK1TSHR
SCHEMBL29832156 0.74 LRRK2 (0.47) LRRK2PIM1KDM4EALDH1A1GAA
SCHEMBL27628474 0.73 TGFBR1 (0.49) LRRK2PIM1KDM4EPOLBTGFBR1
SCHEMBL29504909 0.72 TGFBR1 (0.56) LRRK2KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL373665 0.72 TGFBR1 (0.56) LRRK2KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL29547877 0.72 TGFBR1 (0.56) LRRK2KDM4EALDH1A1HSD17B10MAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US claimed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP claimed
JP-2006517592-A 2006-07-27 JP claimed
CN-1770980-A Pyrazoles and methods of making and using the same BIOGEN IDEC INC (US) 2006-05-10 CN claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP claimed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US disclosed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP disclosed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 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 (1 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-20060264440-A1 Pyrazoles and methods of making and using the same ALK, ACVR1, ALKBH5 LRRK2 3140/4885ATM 2987/4885NPSR1 3441/4885

“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.