SCHEMBL4465969

SCHEMBL4465969

CCS(=O)(=O)c1ccc(C2=NNC(=O)C2=C2C=Cc3ccccc3N2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.36
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 4/20 0.34
RORC P51449 2/20 0.32
JAK2 O60674 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C9 P11712 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP2D6 P10635 2/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL4465966 1.00 PSIP1 (0.36) PSIP1GAAMAPTPTGS2RORC
SCHEMBL4474579 0.88 BRD4 (0.38) PSIP1GAAMAPTCYP1A2CYP3A4
SCHEMBL4474572 0.88 BRD4 (0.38) PSIP1GAAMAPTCYP1A2CYP3A4
SCHEMBL4463046 0.85 SMN1; SMN2 (0.36) GAAMAPTPTGS2ALDH1A1LMNA
SCHEMBL4463051 0.85 SMN1; SMN2 (0.36) GAAMAPTPTGS2ALDH1A1LMNA
SCHEMBL4460358 0.84 MAPT (0.43) GAAMAPTPTGS2ALDH1A1LMNA
SCHEMBL4460352 0.84 MAPT (0.43) GAAMAPTPTGS2ALDH1A1LMNA
SCHEMBL4459250 0.77 HTR6 (0.36)
SCHEMBL4459243 0.77 HTR6 (0.36)
SCHEMBL4459207 0.73 MAPT (0.46) GAAMAPT

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 PSIP1 3490/4885GAA 3059/4885MAPT 2532/4885

“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.