SCHEMBL5565901

SCHEMBL5565901

CC(=O)Nc1cc(Cl)c(C(C#N)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C1 Q04828 1/20 0.48
KDR P35968 1/20 0.45
PDK1 Q15118 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
PLA2G7 Q13093 1/20 0.43
RAPGEF3 O95398 2/20 0.42
RAPGEF4 Q8WZA2 2/20 0.42
CASR P41180 1/20 0.41
RORC P51449 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
SLC6A3 Q01959 3/20 0.39
OTUD7B Q6GQQ9 1/20 0.39
GRM4 Q14833 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
SCHEMBL5566385 0.77 HTT (0.39) ALDH1A1KDRPDK1PLA2G7RAPGEF3
SCHEMBL462753 0.75 KDR (0.76) ALDH1A1KDRPDK1TRPV1MAPT
SCHEMBL5561482 0.75 VCAM1 (0.40) ALDH1A1AKR1C3PLA2G7RORCMAPT
SCHEMBL5561081 0.73 KDR (0.51) ALDH1A1KDRPDK1TRPV1RORC
SCHEMBL12144653 0.72 KDR (0.43) ALDH1A1KDRPDK1TRPV1PLA2G7
SCHEMBL28875490 0.70 KDR (0.57) ALDH1A1KDRPDK1TRPV1RORC
SCHEMBL15484869 0.70 AKR1C3 (0.42) AKR1C3KDRPDK1RAPGEF3RAPGEF4
SCHEMBL6815322 0.69 LMNA (0.65) ALDH1A1KDRPDK1TRPV1MAPT
SCHEMBL12144652 0.67 TMPRSS4 (0.49) ALDH1A1KDRPDK1TRPV1RORC
SCHEMBL27782035 0.67 AKR1C3 (0.58) AKR1C3KDRPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000040-B1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs LACRAMPE JEAN FERNAND ARMAND (FR) 2005-04-28 US disclosed
US-6867207-B2 IL-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-15 US disclosed
US-20040167333-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs LACRAMPE JEAN FERNAND ARMAND (FR) 2004-08-26 US disclosed
US-20020072603-A1 Novel IL-5 inhibiting 6-azauracil derivatives LACRAMPE JEAN FERNAND ARMAND (FR) 2002-06-13 US disclosed
EP-1000040-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1999002505-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 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 (3 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-20040167333-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs IL6ST, CXCR5, ALOX5 ALDH1A1 1219/4885AKR1C3 1330/4885AKR1C1 1984/4885
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs CXCR5, HCAR3, IL6ST ALDH1A1 1331/4885AKR1C3 662/4885AKR1C1 1378/4885
US-20020072603-A1 Novel IL-5 inhibiting 6-azauracil derivatives IL6ST, ALOX5, IL5 ALDH1A1 848/4885AKR1C3 324/4885AKR1C1 471/4885

“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.