SCHEMBL4620182

SCHEMBL4620182

N#CCC(=O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
KDM4E B2RXH2 1/20 0.61
FABP4 P15090 1/20 0.58
SLC2A1 P11166 1/20 0.56
HPGD P15428 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL1259799 0.86 CYP1A2 (0.57) TSHRKDM4EHPGDCYP1A2CYP2C19
SCHEMBL9819126 0.86 CYP3A4 (0.63) CYP1A2CYP2C19MEN1KMT2AHTT
SCHEMBL21972564 0.85 ALDH1A1 (0.62) TSHRKDM4EFABP4SLC2A1MEN1
SCHEMBL20219039 0.82 TSHR (0.76) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL11140544 0.82 ALDH1A1 (0.69) TSHRHPGDCYP1A2CYP2C19MEN1
SCHEMBL1259319 0.82 CYP1A2 (0.57) TSHRKDM4EHPGDCYP1A2CYP2C19
SCHEMBL31023418 0.81 TSHR (0.73) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL4002460 0.81 TSHR (0.73) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL1618221 0.80 ALDH1A1 (0.64) TSHRKDM4EHPGDCYP1A2CYP2C19
SCHEMBL7933287 0.80 TSHR (0.71) TSHRKDM4EFABP4SLC2A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883621-A2 METHODS OF PREPARING 3-CYANO-QUINOLINES AND INTERMEDIATES MADE THEREBY Wyeth (US) 2008-02-06 EP disclosed
US-7297795-B2 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2007-11-20 US disclosed
US-20060270669-A1 Method of preparing 3-cyano-quinolines and intermediates made thereby WYETH 2006-11-30 US disclosed
WO-2006127205-A2 METHODS OF PREPARING 3-CYANO-QUINOLINES AND INTERMEDIATES MADE THEREBY WYETH (US) 2006-11-30 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-20060270669-A1 Method of preparing 3-cyano-quinolines and intermediates made thereby CNP, PPP4C, PTMS TSHR 3714/4885KDM4E 490/4885FABP4 4311/4885

“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.