SCHEMBL6010009

SCHEMBL6010009

CNC1(C(N)=O)CCN(C(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.52
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
ATM Q13315 1/20 0.34
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL18774638 0.83 GRIN2D (0.34) KDM4EKMT2AGRIN2DGRIN3BCHRM2
SCHEMBL6010017 0.81 KDM4E (0.46) KDM4EKMT2AALDH1A1ATM
SCHEMBL8259098 0.81 CNR1 (0.40) KDM4EKMT2AGRIN2DGRIN3BCHRM2
SCHEMBL8253488 0.81 ALDH1A1 (0.51) KDM4EKMT2AGRIN2DGRIN3BCHRM2
SCHEMBL10280093 0.79 KDM4E (0.57) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL14413678 0.78 GRIN2D (0.33) KDM4EKMT2AGRIN2DGRIN3BCHRM2
SCHEMBL27645413 0.78 KDM4E (0.45) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL3715654 0.77
SCHEMBL14367300 0.77 KDM4E (0.55) KDM4EKMT2AALDH1A1CYP2D6
SCHEMBL14413676 0.76 SIGMAR1 (0.38) KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 US disclosed
US-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 US disclosed
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-04 US disclosed
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-04 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CARPINO PHILIP A 2007-09-13 US disclosed
US-7232823-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. (US) 2007-06-19 US disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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 (4 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KDM4E 3361/4885KMT2A 3816/4885GRIN2D 525/4885
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR2, CNR1, GPR18 KDM4E 3489/4885KMT2A 3664/4885GRIN2D 532/4885
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK7 KDM4E 188/4885KMT2A 496/4885GRIN2D 1840/4885
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF ULK2, ULK3, ULK1 KDM4E 2494/4885KMT2A 2770/4885GRIN2D 4784/4885

“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.