SCHEMBL5358364

SCHEMBL5358364

Nc1ncc(-c2cccc(OC(F)(F)F)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
SCN10A Q9Y5Y9 1/20 0.52
DYRK1A Q13627 7/20 0.49
XDH P47989 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NPY5R Q15761 1/20 0.45
ABL1 P00519 1/20 0.45
ATR Q13535 1/20 0.45
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
GAA P10253 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
SCHEMBL22684975 0.86 NPC1 (0.57) KCNH2SCN10ANPC1RAB9ASMN1; SMN2
SCHEMBL14408027 0.82 KCNH2 (0.52) KCNH2SCN10ADYRK1ANPY5RGRM5
SCHEMBL16892139 0.79 DYRK1A (0.46) KCNH2SCN10ADYRK1ANPY5RGRM5
SCHEMBL4025534 0.78 MAP4K4 (0.57) KCNH2SCN10ADYRK1AXDHNPY5R
SCHEMBL40156 0.77 ADORA2A (0.49) DYRK1AXDHNPC1RAB9ASMN1; SMN2
SCHEMBL26090859 0.77 NOTUM (0.62) KCNH2SCN10ADYRK1AXDHNPC1
SCHEMBL30287476 0.77 NOTUM (0.62) KCNH2SCN10ADYRK1AXDHNPC1
SCHEMBL29393032 0.76 KDM4E (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2406300 0.76 KDM4E (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12601168 0.76 MAP4K4 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20040192926-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-09-30 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-20040192926-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KCNH2 4756/4885SCN10A 4693/4885DYRK1A 420/4885

“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.