SCHEMBL4190441

SCHEMBL4190441

O=c1cc(O)c2ccncc2n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AOC3 Q16853 2/20 0.41
KDM5A P29375 2/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 1/20 0.41
REN P00797 1/20 0.41
DYRK1A Q13627 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL4194781 0.88 POLB (0.43) SMN1; SMN2POLBRECQLMAPTCYP3A4
SCHEMBL4190262 0.81 ALDH1A1 (0.55) SMN1; SMN2POLBRECQLMAPTCYP3A4
SCHEMBL22172011 0.78 KDM4C (0.47) KDM4EALDH1A1AOC3RENDYRK1A
SCHEMBL21807514 0.75 KDM4E (0.53) SMN1; SMN2MAPTCYP3A4KDM4EALDH1A1
SCHEMBL30881082 0.75 MAT2A (0.55) SMN1; SMN2MAPTKDM4EKMT2AMEN1
SCHEMBL27388953 0.75 MAT2A (0.55) SMN1; SMN2MAPTKDM4EKMT2AMEN1
SCHEMBL18357432 0.74 CDK4 (0.49) KDM4EALDH1A1AOC3CYP1A2REN
SCHEMBL29110308 0.74 MAT2A (0.58) CYP3A4ALDH1A1CYP1A2
SCHEMBL30611247 0.74 MAT2A (0.58) CYP3A4ALDH1A1CYP1A2
SCHEMBL22172017 0.74 KDM4E (0.53) KDM4EKMT2ARENDYRK1AMAPK1

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
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP disclosed
US-8193356-B2 Heterocycle compound, and production process and application thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 US disclosed
EP-1925617-A1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA Pharmaceutical Co., Ltd. (JP) 2008-05-28 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-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof PDE3B, PDE4B, PDE7A SMN1; SMN2 4300/4885POLB 1630/4885RECQL 993/4885

“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.