SCHEMBL4767221

SCHEMBL4767221

CN(C)c1nc(-c2ccccc2F)nc(Cl)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHPS P49366 1/20 0.40
ADORA1 P30542 3/20 0.40
ADORA2B P29275 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2A P29274 2/20 0.39
GBA1 P04062 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.36

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
SCHEMBL8347159 0.78 ALDH1A1 (0.49) HPGDNPSR1ALDH1A1HSD17B10KDM4E
SCHEMBL8345655 0.76 MAPT (0.42) HPGDALDH1A1HSD17B10KDM4ERXFP1
SCHEMBL4774542 0.71 HTT (0.44) HPGDALDH1A1HSD17B10KDM4ERXFP1
SCHEMBL5256030 0.70 DHPS (0.47) MAPK1MEN1KMT2ASMN1; SMN2DHPS
SCHEMBL937501 0.70 CYP2D6 (0.70) HPGDALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL1084188 0.69 CYP1A2 (0.50) HPGDALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL1084031 0.69 CYP1A2 (0.50) HPGDALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL6255073 0.68 ADORA2A (0.49) HPGDNPSR1ALDH1A1HSD17B10KDM4E
SCHEMBL12929774 0.66 PTPN11 (0.38) MAPTGBA1
SCHEMBL1083894 0.66 CYP2D6 (0.56) HPGDALDH1A1HSD17B10KDM4EMAPK1

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
EP-1549316-A4 INHIBITORS OF TFGbeta SCIOS INC (US) 2008-04-09 EP disclosed
EP-1549316-A1 INHIBITORS OF TFG&bgr; SCIOS INC. (US) 2005-07-06 EP disclosed
US-20040132730-A1 Inhibitors of TGFbeta SCIOS, INC. 2004-07-08 US disclosed
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 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-20040132730-A1 Inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 HPGD 1323/4885NPSR1 3089/4885ALDH1A1 2530/4885

“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.