SCHEMBL10174359

SCHEMBL10174359

COC(=O)C1CCCN(c2ccc(C)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A9 P48067 2/20 0.44
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DGAT2 Q96PD7 5/20 0.43
RAB9A P51151 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL10174321 0.88 ALDH1A1 (0.54) KMT2AKDM4ECYP2C19MEN1SMN1; SMN2
SCHEMBL15911942 0.85 CDK9 (0.47) KMT2AATMKDM4EHRH3CYP2C19
SCHEMBL10174357 0.84 KDM4E (0.61) KMT2AKDM4EHRH3MEN1SMN1; SMN2
SCHEMBL16803495 0.83 KMT2A (0.57) KMT2AKDM4EHRH3MEN1SMN1; SMN2
SCHEMBL596004 0.79 KDM4E (0.51) KMT2AKDM4EMEN1SMN1; SMN2POLB
SCHEMBL16695108 0.79 SMN1; SMN2 (0.56) KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL4881099 0.79 KDM4E (0.51) KMT2AKDM4EMEN1SMN1; SMN2POLB
SCHEMBL18291729 0.78 MEN1 (0.52) KMT2AKDM4EMEN1SMN1; SMN2DGAT2
SCHEMBL32665192 0.76 HSD17B10 (0.49) KMT2AKDM4EMEN1SMN1; SMN2POLB
SCHEMBL2225455 0.76 PDK1 (0.54) KMT2AKDM4EMEN1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 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 (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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 KMT2A 2009/4885ATM 3632/4885KDM4E 2210/4885

“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.