SCHEMBL5138722

SCHEMBL5138722

Cc1nc2ccc(-c3c[nH]nc3-c3ccccn3)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.43
AKT1 P31749 2/20 0.38
AKT2 P31751 2/20 0.38
NR1H4 Q96RI1 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
TGFBR2 P37173 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
KDR P35968 1/20 0.35
DYRK1A Q13627 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
CSNK1D P48730 2/20 0.34

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
SCHEMBL3247680 0.85 TGFBR1 (0.55) TGFBR1
SCHEMBL4160099 0.80 TGFBR1 (0.49) TGFBR1TGFBR2DYRK1A
SCHEMBL3855569 0.74 TGFBR1 (0.50) TGFBR1TGFBR2
SCHEMBL5138707 0.74 TGFBR1 (0.45) TGFBR1MAPTTGFBR2NPC1RAB9A
SCHEMBL27628474 0.73 TGFBR1 (0.49) TGFBR1SMN1; SMN2KDM4ENPC1KDR
SCHEMBL3243384 0.73 TGFBR1 (0.43) TGFBR1
SCHEMBL3240954 0.73 TGFBR1 (0.43) TGFBR1AKT1AKT2
SCHEMBL3463943 0.71 KDM4E (0.48) MAPTHTTSMN1; SMN2TDP1KDM4E
SCHEMBL5490810 0.71 TGFBR1 (0.54) TGFBR1KDM4EPOLB
SCHEMBL8489109 0.71 L3MBTL1 (0.44) TGFBR1HTTSMN1; SMN2KDM4ETP53

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 10 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
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
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 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 TGFBR1 26/4885AKT1 3041/4885AKT2 3376/4885

“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.