SCHEMBL16272020

SCHEMBL16272020

CC1CN(C(=O)OC(C)(C)C)CC=C1c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ GPR119 Q8TDV5 5/20 0.50
▸ KIT P10721 1/20 0.47
▸ GBA1 P04062 1/20 0.47
▸ GRM5 P41594 2/20 0.46
▸ GRM1 Q13255 1/20 0.46
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 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
SCHEMBL4934988 0.87 USP30 (0.46) KDM4EGPR119GRM5GRM1NAMPT
SCHEMBL17667430 0.83 CYP11B1 (0.43) CYP3A4
SCHEMBL23865600 0.82 KDM4E (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL3023074 0.80 MEN1 (0.46) MEN1KMT2ANAMPT
SCHEMBL17722895 0.79 GRM5 (0.49) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL10179373 0.79 TNF (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL14142222 0.78 USP30 (0.37) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL25738435 0.78 GPR119 (0.54) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL4486545 0.78 GRM1 (0.65) GPR119GBA1GRM5GRM1NAMPT
SCHEMBL29774060 0.78 GRM1 (0.65) GPR119GBA1GRM5GRM1NAMPT

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
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
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 KDM4E 1245/4885MEN1 4651/4885ALDH1A1 330/4885

“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.

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