SCHEMBL1618228

SCHEMBL1618228

Cc1sc2cc(Oc3ccnc4cc(O)ccc34)ccc2c1C(=O)NCc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
MMP13 P45452 1/20 0.44
LMNA P02545 2/20 0.43
RECQL P46063 2/20 0.43
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MET P08581 1/20 0.40
KDR P35968 2/20 0.40
CYP2D6 P10635 2/20 0.40
CSF1R P07333 1/20 0.40
PDGFRB P09619 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1617855 0.92 KDR (0.49) HPGDMMP13RECQLCYP3A4CYP1A2
SCHEMBL1617729 0.84 KDR (0.49) METKDRCSF1RPDGFRB
SCHEMBL1617635 0.82 AXL (0.43) ALDH1A1METKDRCSF1RPDGFRB
SCHEMBL1618304 0.81 KDR (0.42) METKDRCSF1RPDGFRB
SCHEMBL1618225 0.81 KDR (0.47) METKDRCSF1RPDGFRB
SCHEMBL1618265 0.78 SELE (0.43) CYP3A4CYP1A2METKDRCYP2D6
SCHEMBL1618110 0.77 MET (0.51) METKDRPDGFRBMAPK14
SCHEMBL1617951 0.77 KDR (0.45) METKDRPDGFRB
SCHEMBL12716099 0.76 KDR (0.42) CYP3A4METKDRCSF1RPDGFRB
SCHEMBL12716052 0.75 KDR (0.54) METKDRCSF1RPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US claimed
JP-2007516273-A 2007-06-21 JP claimed
EP-1699780-A1 NOVEL QUINOLINE DERIVATIVES Pfizer, Inc. (US) 2006-09-13 EP claimed
WO-2005063739-A1 NOVEL QUINOLINE DERIVATIVES PFIZER INC. (US) 2005-07-14 WO claimed
US-20050137395-A1 Novel quinoline derivatives AGOURON PHARMACEUTICALS, INC. 2005-06-23 US claimed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
EP-1699780-A1 NOVEL QUINOLINE DERIVATIVES Pfizer, Inc. (US) 2006-09-13 EP disclosed
WO-2005063739-A1 NOVEL QUINOLINE DERIVATIVES PFIZER INC. (US) 2005-07-14 WO disclosed
US-20050137395-A1 Novel quinoline derivatives AGOURON PHARMACEUTICALS, INC. 2005-06-23 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 (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-20090069316-A1 NOVEL QUINOLINE DERIVATIVES COQ8B, COQ8A, MCM5 HPGD 1234/4885MMP13 3656/4885LMNA 584/4885

“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.