SCHEMBL5772725

SCHEMBL5772725

CN([C]=O)Cc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HRH1 P35367 4/20 0.34
CYP2D6 P10635 3/20 0.34
RAB9A P51151 3/20 0.33
HDAC1 Q13547 2/20 0.33
NPC1 O15118 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33

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
SCHEMBL3461681 0.78 CHRNB2 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL20882979 0.78 GAA (0.45) CYP1A2CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL3461677 0.75 CYP3A4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL3666709 0.74 TDP1 (0.53) POLBTDP1HRH1KMT2A
SCHEMBL16741951 0.73 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL19210477 0.73 TDP1 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL14067071 0.72 POLB (0.44) CYP1A2CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL12089147 0.72 CYP3A4 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19GBA1
SCHEMBL10305066 0.70 TDP1 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL3320948 0.70 TDP1 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19GBA1

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR CYP1A2 68/4885CYP3A4 39/4885CYP2C9 30/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CYP1A2 74/4885CYP3A4 76/4885CYP2C9 45/4885

“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.