SCHEMBL13323966

SCHEMBL13323966

COc1c(-c2cccc(F)c2)cnn(C(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.42
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 3/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 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
SCHEMBL13323972 0.84 PTGS1 (0.42) CYP1A2CYP3A4USP2TSHRPRMT5
SCHEMBL13323884 0.74 NPBWR1 (0.48) CYP1A2CYP2C19TSHRALDH1A1PDGFRB
SCHEMBL13323997 0.74 HSD11B1 (0.34) CYP1A2CYP2C19USP2ALDH1A1SMN1; SMN2
SCHEMBL8220816 0.72 FYN (0.45) FYNALDH1A1PDGFRBPDGFRAHSD17B10
SCHEMBL13324003 0.71 CYP1A1 (0.37) CYP1A2CYP3A4CYP2C19TSHRPGR
SCHEMBL27892837 0.71 FYN (0.48) FYNCYP1A2CYP3A4CYP2C19TUBB4A
SCHEMBL27892827 0.70 FYN (0.53) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27892829 0.70 FYN (0.47) FYNCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL18532418 0.67 KMT2A (0.41) FYNCYP1A2CYP3A4TUBB4ATUBB
SCHEMBL7918572 0.66 PTGS2 (0.51) CYP1A2CYP2C19ALDH1A1TP53SMN1; SMN2

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-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 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-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors PRSS1, SPINT2, TMPRSS4 FYN 4211/4885CYP1A2 241/4885CYP3A4 33/4885

“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.