SCHEMBL5268390

SCHEMBL5268390

CC(=O)Nc1ccc(-c2n[nH]c(C)c2I)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TTK P33981 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ PDE5A O76074 1/20 0.48
▸ PDE1A P54750 1/20 0.48
▸ PDE1B Q01064 1/20 0.48
▸ PDE3B Q13370 1/20 0.48
▸ PDE1C Q14123 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ NISCH Q9Y2I1 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ DYRK1B Q9Y463 2/20 0.44
▸ DYRK1A Q13627 1/20 0.44

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
SCHEMBL5271443 0.83 CHEK1 (0.57) SMN1; SMN2TTKMAPK8PDE5APDE1A
SCHEMBL11118744 0.75 PDGFRB (0.65) SMN1; SMN2HTTL3MBTL1TTKMAPK8
SCHEMBL15676771 0.73 SMN1; SMN2 (0.55) SMN1; SMN2HTTL3MBTL1TDP1NISCH
SCHEMBL19806682 0.72 RAB9A (0.58) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2376086 0.72 AKT2 (0.50) SMN1; SMN2L3MBTL1TTKPDE5APDE1A
SCHEMBL18301578 0.72 GSK3A (0.51) SMN1; SMN2MAPK8ALDH1A1MAPTKDM4E
SCHEMBL5273456 0.72 HSP90AA1 (0.58) SMN1; SMN2TDP1ALDH1A1MAPTMEN1
SCHEMBL5271422 0.71 KDM4E (0.64) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3818831 0.71 SMN1; SMN2 (1.00) SMN1; SMN2HTTL3MBTL1TDP1ALDH1A1
SCHEMBL13184080 0.71 LRRK2 (0.41) —

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-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 — — EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 — — US disclosed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 — — US disclosed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 — — EP disclosed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 — — 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-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P SMN1; SMN2 4757/4885HTT 1373/4885L3MBTL1 1731/4885

“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.

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