SCHEMBL4606741

SCHEMBL4606741

Cc1cc(I)ccc1NN=C(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
PTPRE P23469 1/20 0.41
PTPN6 P29350 1/20 0.41
MAP2K1 Q02750 7/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 3/20 0.35
NPC1 O15118 1/20 0.33

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
SCHEMBL4607691 0.87 IDO1 (0.41) IDO1PTPRCPTPN2PTPN1PTPRA
SCHEMBL14007386 0.81 ABCB1 (0.53) IDO1MAP2K1MAPTCYP1A2CYP2C9
SCHEMBL3219456 0.75 IDO1 (0.50) IDO1PTPRCPTPN2PTPN1PTPRA
SCHEMBL6466546 0.74 MEN1 (0.56) IDO1MAP2K1MAPTCYP1A2CYP2C9
SCHEMBL6466540 0.74 MEN1 (0.56) IDO1MAP2K1MAPTCYP1A2CYP2C9
SCHEMBL8246831 0.73 IDO1 (0.36) IDO1PTPRCPTPN2PTPN1PTPRA
SCHEMBL5321954 0.71 IDO1 (0.44) IDO1PTPRCPTPN2PTPN1PTPRA
SCHEMBL4192284 0.70 ALDH1A1 (0.55) IDO1PTPRCPTPN2PTPN1PTPRA
SCHEMBL20680373 0.69 MEN1 (0.57) IDO1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30798823 0.69 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1945616-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B IDO1 1842/4885PTPRC 3729/4885PTPN2 3101/4885

“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.