SCHEMBL5271443

SCHEMBL5271443

CC(=O)Nc1cccc(-c2n[nH]c(C)c2I)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ NEK2 P51955 1/20 0.57
▸ MAPK15 Q8TD08 1/20 0.57
▸ TTK P33981 4/20 0.53
▸ MAPK8 P45983 2/20 0.53
▸ MAPT P10636 1/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ PDE1A P54750 1/20 0.52
▸ PDE1B Q01064 1/20 0.52
▸ PDE3B Q13370 1/20 0.52
▸ PDE1C Q14123 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ JAK3 P52333 1/20 0.50
▸ MELK Q14680 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL5268390 0.83 SMN1; SMN2 (0.51) CHEK1TTKMAPK8MAPTPDE5A
SCHEMBL6788254 0.79 PARP1 (0.63) CHEK1FGFR1NEK2MAPK15TTK
SCHEMBL15676760 0.76 SMN1; SMN2 (0.54) CHEK1FGFR1NEK2MAPK15MAPT
SCHEMBL4922358 0.75 PARP1 (0.67) CHEK1TTKMAPK8MAPTPDE5A
SCHEMBL5272524 0.74 HSP90AA1 (0.54) CHEK1FGFR1NEK2MAPK15TTK
SCHEMBL6669387 0.74 MAPT (0.56) CHEK1FGFR1NEK2MAPK15TTK
SCHEMBL15655811 0.73 ADORA3 (0.47) TTKMAPK8MAPTPDE5APDE1A
SCHEMBL29963134 0.73 CHEK1 (1.00) CHEK1FGFR1NEK2MAPK15DYRK1A
SCHEMBL29930537 0.73 DYRK1A (0.69) CHEK1FGFR1NEK2MAPK15TTK
SCHEMBL5272446 0.72 KDM4E (0.50) TTKMAPK8MAPTNPC1RAB9A

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 CHEK1 1440/4885FGFR1 2489/4885NEK2 1531/4885

“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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