SCHEMBL16272005

SCHEMBL16272005

Cc1ncc(CN2CCC(c3cccnc3)CC2)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CYP11B2 P19099 1/20 0.43
TRPV6 Q9H1D0 4/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
ALDH1A1 P00352 3/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA2 Q15822 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
PSIP1 O75475 1/20 0.39
TRPA1 O75762 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNA1 P02708 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
SCHEMBL16271973 0.88 DRD4 (0.48) PDCD1LG2CD274CYP11B2TRPV6CHRNB2
SCHEMBL17721305 0.86 PDCD1LG2 (0.43) PDCD1LG2CD274CYP11B2TRPV6CHRNB2
SCHEMBL16272066 0.85 DRD4 (0.45) PDCD1LG2CD274CYP11B2TRPV6CHRNB2
SCHEMBL17677208 0.83 TRPV6 (0.50) PDCD1LG2CD274CYP11B2TRPV6CHRNB2
SCHEMBL16271989 0.80 TLR7 (0.40) LMNATLR7
SCHEMBL16271965 0.80 DRD4 (0.52) PDCD1LG2CD274DRD2DRD4DRD3
SCHEMBL17721302 0.77 PDCD1LG2 (0.43) PDCD1LG2CD274CYP11B2TRPV6GRM2
SCHEMBL17677235 0.77 PDCD1LG2 (0.43) PDCD1LG2CD274CYP11B2TRPV6CHRNB2
SCHEMBL17677216 0.77 PDCD1LG2 (0.45) PDCD1LG2CD274CYP11B2TRPV6TLR7
SCHEMBL17677206 0.75 CYP11B2 (0.49) PDCD1LG2CD274CYP11B2TRPV6CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
EP-3006438-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2016-04-13 EP disclosed
EP-3006438-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2016-04-13 EP disclosed
WO-2014192868-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2014-12-04 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-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE DRD2, DRD4, DRD1 PDCD1LG2 1670/4885CD274 2366/4885CYP11B2 740/4885

“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.