SCHEMBL5491063

SCHEMBL5491063

O=C(NC(=O)c1ccc2nccnc2c1)Nc1ccc(O)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.60
RAB9A P51151 9/20 0.52
NPC1 O15118 9/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
POLB P06746 2/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
HSD17B10 Q99714 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL5489330 0.90 CCR2 (0.58) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5491138 0.86 PYGL (0.52) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5496386 0.83 ACLY (0.52) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5491231 0.82 ACLY (0.51) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5487242 0.82 PYGL (0.54) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5487573 0.81 KMT2A (0.72) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5489138 0.81 KDR (0.59) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5491219 0.81 RAB9A (0.48) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5487291 0.81 RAB9A (0.46) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5495384 0.81 RAB9A (0.56) RAB9ANPC1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US claimed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885RAB9A 3267/4885NPC1 877/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885RAB9A 3249/4885NPC1 686/4885

“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.