SCHEMBL5200816

SCHEMBL5200816

c1ccc(-c2n[nH]cc2-c2ccc3noc(-c4ccsc4)c3c2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 8/20 0.37
IP6K3 Q96PC2 6/20 0.37
IP6K2 Q9UHH9 6/20 0.37
AKT1 P31749 1/20 0.36
ROCK1 Q13464 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
PIM1 P11309 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CDK8 P49336 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
TOP1 P11387 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL5138997 0.85 PIM1 (0.49) IP6K1IP6K3IP6K2PIM1ALDH1A1
SCHEMBL5139037 0.84 MEN1 (0.39) IP6K1IP6K3IP6K2PIM1ALDH1A1
SCHEMBL5138429 0.83 MEN1 (0.50) IP6K1IP6K3IP6K2PIM1ALDH1A1
SCHEMBL5138199 0.81 SMN1; SMN2 (0.48) IP6K1IP6K3IP6K2ALDH1A1HPGD
SCHEMBL6180087 0.80 TGFBR1 (0.41) NPC1CHRNA7
SCHEMBL5930941 0.77 TGFBR1 (0.38) IP6K1IP6K3IP6K2ALDH1A1HPGD
SCHEMBL5138585 0.74 TDO2 (0.47) PIM1ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL5138712 0.73 ALDH1A1 (0.43) IP6K1IP6K3IP6K2ALDH1A1HPGD
SCHEMBL5138443 0.72 TGFBR1 (0.46) PIM1SMN1; SMN2KMT2ANPC1POLB
SCHEMBL5200922 0.72 TDO2 (0.47) PIM1NPC1KDM4E

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 9 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
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 IP6K1 892/4885IP6K3 635/4885IP6K2 1287/4885

“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.