SCHEMBL5487253

SCHEMBL5487253

Cc1nc2ccc(N(C=O)C(=O)Nc3cccc(Br)c3)cc2nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.40
TGM2 P21980 1/20 0.40
GRM5 P41594 1/20 0.40
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EGFR P00533 4/20 0.38
ERBB2 P04626 2/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6179736 0.87 KMT2A (0.47) KMT2AALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL5494434 0.84 NPC1 (0.46) KMT2AALDH1A1KDM4EGRM5RAB9A
SCHEMBL5494637 0.84 TP53 (0.52) KMT2AALDH1A1KDM4EGAARAB9A
SCHEMBL5779748 0.81 NPC1 (0.47) KMT2AGAATGM2GRM5RAB9A
SCHEMBL5779171 0.81 NPC1 (0.47) KMT2AGAATGM2GRM5RAB9A
SCHEMBL5496710 0.74 MAOB (0.59) KMT2AALDH1A1GAATGM2RAB9A
SCHEMBL5778507 0.74 KMT2A (0.50) KMT2AALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL27529537 0.71 KMT2A (0.51) KMT2AALDH1A1KDM4EGAAGRM5
SCHEMBL5493967 0.68 TP53 (0.51) KMT2AALDH1A1RAB9AMAPTMEN1
SCHEMBL789017 0.68 GAA (0.60) KMT2AALDH1A1GAATGM2RAB9A

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 12 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
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP 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
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO 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
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP disclosed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 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 (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 KMT2A 4655/4885ALDH1A1 2397/4885KDM4E 4666/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KMT2A 4673/4885ALDH1A1 2365/4885KDM4E 4714/4885

“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.