SCHEMBL102402

SCHEMBL102402

Cc1nc(-c2ccc([C@H]3CN(C(=N)N)CCO3)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
KCNH2 Q12809 1/20 0.49
SPHK2 Q9NRA0 6/20 0.41
SPHK1 Q9NYA1 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
PLK1 P53350 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
TACR3 P29371 1/20 0.37
DGAT1 O75907 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL966656 0.85 DRD3 (0.49) DRD3DRD2KCNH2MAOAMAOB
SCHEMBL967405 0.80 GPR119 (0.58) DRD3DRD2KCNH2GPR119TACR3
SCHEMBL102151 0.79 RAB9A (0.45) DRD3DRD2KCNH2GPR119TACR3
SCHEMBL3311372 0.74 NAMPT (0.41) DRD3KCNH2
SCHEMBL11094354 0.74 USP30 (0.47) DRD3MAOATSHR
SCHEMBL101657 0.73 DRD3 (0.47) DRD3DRD2KCNH2MAOAMAOB
SCHEMBL135512 0.73 DRD3 (0.47) DRD3DRD2KCNH2MAOAMAOB
SCHEMBL9906431 0.72 MAOA (0.47) DRD3DRD2KCNH2MAOAMAOB
SCHEMBL22280439 0.70 RAB9A (0.60) SPHK2SPHK1LMNATSHRRAB9A
SCHEMBL22280465 0.70 RAB9A (0.60) SPHK2SPHK1LMNATSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 US disclosed
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 US disclosed
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 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 (2 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 DRD3 437/4885DRD2 183/4885KCNH2 1234/4885
US-20120220591-A1 PYRIMIDONE COMPOUNDS MAPT, PRNP, PSEN1 DRD3 1627/4885DRD2 1785/4885KCNH2 2642/4885

“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.