SCHEMBL4474579

SCHEMBL4474579

CCS(=O)(=O)c1cccc(C2=NNC(=O)C2=C2C=Cc3ccccc3N2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.38
CYP1A2 P05177 8/20 0.34
CYP3A4 P08684 8/20 0.34
CYP2C9 P11712 8/20 0.34
CYP2C19 P33261 8/20 0.34
CYP2D6 P10635 4/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
PSIP1 O75475 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4474572 1.00 BRD4 (0.38) BRD4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4465969 0.88 PSIP1 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL4465966 0.88 PSIP1 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL4460358 0.81 MAPT (0.43) KDRGAAMAPT
SCHEMBL4460352 0.81 MAPT (0.43) KDRGAAMAPT
SCHEMBL4463051 0.78 SMN1; SMN2 (0.36) GAAMAPT
SCHEMBL4463046 0.78 SMN1; SMN2 (0.36) GAAMAPT
SCHEMBL4464531 0.77 KDM4A (0.42) GAAMAPT
SCHEMBL4464526 0.77 KDM4A (0.42) GAAMAPT
SCHEMBL4459243 0.76 HTR6 (0.36)

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-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US claimed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 US claimed
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 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-20060041137-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K1 BRD4 929/4885CYP1A2 3175/4885CYP3A4 2926/4885

“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.