SCHEMBL7086842

SCHEMBL7086842

[c]1cnc(N2CCNCC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HRH1 P35367 1/20 0.48
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
ADRB1 P08588 2/20 0.42
PLD1 Q13393 2/20 0.41
ADRB2 P07550 2/20 0.41
NCF1 P14598 1/20 0.41
KMT2A Q03164 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL2037934 0.79 SMN1; SMN2 (0.40) KDM4EALDH1A1HRH1USP2SMN1; SMN2
2-Piperazin-1-Yl-Pyrimidine SCHEMBL169214 0.77 ALDH1A1 (0.95) KDM4EALDH1A1HRH1USP2SMN1; SMN2
SCHEMBL13717521 0.77 SMN1; SMN2 (0.40) KDM4EALDH1A1HRH1USP2SMN1; SMN2
2-Piperazin-1-Yl-Pyrimidine SCHEMBL893739 0.77 ALDH1A1 (0.95) KDM4EALDH1A1HRH1USP2SMN1; SMN2
2-Piperazin-1-Yl-Pyrimidine SCHEMBL27324991 0.76 ALDH1A1 (0.91) KDM4EALDH1A1HRH1USP2SMN1; SMN2
SCHEMBL1921433 0.76 KDM4E (0.63) KDM4EALDH1A1HRH1USP2SMN1; SMN2
2-Piperazin-1-Yl-Pyrimidine SCHEMBL924147 0.76 ALDH1A1 (1.00) KDM4EALDH1A1HRH1USP2SMN1; SMN2
2-Piperazin-1-Yl-Pyrimidine SCHEMBL101561 0.76 ALDH1A1 (1.00) KDM4EALDH1A1HRH1USP2SMN1; SMN2
2-Piperazin-1-Yl-Pyrimidine SCHEMBL5375472 0.76 ALDH1A1 (0.91) KDM4EALDH1A1HRH1USP2SMN1; SMN2
2-Piperazin-1-Yl-Pyrimidine SCHEMBL27920766 0.76 ALDH1A1 (0.91) KDM4EALDH1A1HRH1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US claimed
WO-2014200885-A1 PDE10a INHIBITORS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 WO claimed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US claimed
CN-116323589-A Pyridone compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-06-23 CN disclosed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
EP-1289982-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001096327-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APoB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-20 WO 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-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A KDM4E 1186/4885ALDH1A1 381/4885HRH1 4142/4885

“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.