SCHEMBL4854411

SCHEMBL4854411

O=Cc1cn(-c2ccccc2)nc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.63
ALDH1A1 P00352 8/20 0.56
KMT2A Q03164 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
POLB P06746 4/20 0.55
MEN1 O00255 6/20 0.51
KDM4E B2RXH2 3/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
NLRP3 Q96P20 1/20 0.51
P2RX7 Q99572 1/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
PSMD14 O00487 1/20 0.47
GLA P06280 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47

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
SCHEMBL5807905 0.80 PTGS2 (0.65) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL29953592 0.79 PTGS2 (0.59) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL4848372 0.79 PTGS2 (0.63) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL719535 0.79 PTGS2 (0.63) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL14435489 0.78 PTGS2 (0.58) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL23928527 0.78 PTGS2 (0.80) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL7652166 0.78 PTGS2 (0.66) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL3447906 0.77 PTGS2 (1.00) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL28561271 0.75 ALDH1A1 (0.53) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL16830535 0.75 PTGS2 (0.58) PTGS2ALDH1A1KMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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 (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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PTGS2 2206/4885ALDH1A1 821/4885KMT2A 1792/4885

“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.