SCHEMBL5118211

SCHEMBL5118211

NC(=O)[CH]c1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.42
F10 P00742 1/20 0.42
IKBKB O14920 3/20 0.41
CHUK O15111 3/20 0.41
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
AKT3 Q9Y243 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL22656720 0.79 KDM4E (0.45) EGLN1F10IKBKBCHUKAKT1
SCHEMBL5117076 0.74 MAPT (0.50) IKBKBCHUKAKT1AKT2AKT3
SCHEMBL5117216 0.72 CYP3A4 (0.54) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL3423120 0.70 PIN1 (0.56) EGLN1F10KDM4EALDH1A1CYP1A2
SCHEMBL14278 0.69 FABP6 (0.59) EGLN1F10KDM4EALDH1A1CYP1A2
SCHEMBL29467917 0.68 NPC1 (0.64) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL1171206 0.68 ALDH1A1 (0.67) EGLN1F10KDM4EALDH1A1CYP1A2
SCHEMBL23782268 0.67 MAPT (0.45) EGLN1IKBKBCHUKAKT1AKT2
SCHEMBL7407472 0.67 EGLN1 (0.48) EGLN1F10KDM4EALDH1A1CYP1A2
SCHEMBL11353502 0.67 GRIN2D (0.67) EGLN1KDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US claimed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US 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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ EGLN1 3677/4885F10 1903/4885IKBKB 653/4885

“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.