SCHEMBL4756898

SCHEMBL4756898

O=[C]c1ccc2nc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
RAD52 P43351 1/20 0.52
CYP3A4 P08684 1/20 0.51
NAMPT P43490 1/20 0.51
XDH P47989 1/20 0.51
MMP12 P39900 1/20 0.49
HDAC6 Q9UBN7 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
QPCT Q16769 4/20 0.42

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
SCHEMBL1160195 0.85 MAPT (0.42) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL30574712 0.81 PRKCI (0.53) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL11134 0.81 PRKCI (0.53) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL29424823 0.81 PRKCI (0.53) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL1401382 0.81 PRKCI (0.53) PRKCIKDM4EMAPTRAD52CYP3A4
Hydrochloric Acid SCHEMBL3671411 0.79 KDM4E (0.55) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL11657970 0.76 KDM4E (0.50) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL31546813 0.75 MMP12 (0.47) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL31546841 0.75 MMP12 (0.47) PRKCIKDM4EMAPTRAD52CYP3A4
SCHEMBL30100822 0.74 PRKCI (0.59) PRKCIKDM4EMAPTRAD52CYP3A4

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-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR PRKCI 800/4885KDM4E 583/4885MAPT 4330/4885

“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.