SCHEMBL5118214

SCHEMBL5118214

CC(N)c1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.48
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN10A Q9Y5Y9 6/20 0.41
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
CBFB Q13951 1/20 0.40
CYP11B2 P19099 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PARP1 P09874 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
SCHEMBL24075322 1.00 AAK1 (0.48) AAK1KDM4EHSD17B10LMNACYP1A2
SCHEMBL22078547 0.87 MAPT (0.46) AAK1KDM4EHSD17B10LMNAALDH1A1
Hydrochloric Acid SCHEMBL29915517 0.85 MAPT (0.45) AAK1KDM4EHSD17B10LMNAALDH1A1
SCHEMBL4107335 0.85 HSD17B10 (0.61) AAK1KDM4EHSD17B10LMNACYP1A2
SCHEMBL6471271 0.79 ALPL (0.49) AAK1KDM4EHSD17B10LMNACYP1A2
SCHEMBL8071556 0.79 ALPL (0.49) AAK1KDM4EHSD17B10LMNACYP1A2
SCHEMBL8071559 0.79 ALPL (0.49) AAK1KDM4EHSD17B10LMNACYP1A2
SCHEMBL6986516 0.79 SCN10A (0.45) AAK1KDM4EHSD17B10LMNACYP1A2
SCHEMBL8071791 0.79 ALPL (0.66) AAK1CYP1A2ALDH1A1HPGDSCN10A
SCHEMBL16808095 0.76 ALPL (0.49) AAK1KDM4EHSD17B10LMNACYP1A2

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 AAK1 1394/4885KDM4E 3340/4885HSD17B10 4412/4885

“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.