SCHEMBL10174710

SCHEMBL10174710

CCc1cnnc(C(=O)N2CCCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
SMYD3 Q9H7B4 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR2 P34972 1/20 0.40
PTK2 Q05397 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GNE Q9Y223 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
SCHEMBL11662104 0.77 HCAR2 (0.43) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL805504 0.76 SMYD3 (0.47) NPC1RAB9AKMT2AHPGDALDH1A1
SCHEMBL23371801 0.74 L3MBTL1 (0.50) NPC1RAB9AKMT2AHPGDALDH1A1
SCHEMBL28169264 0.74 PARP1 (0.42) KMT2AKDM4ESMYD3GAAMAPT
SCHEMBL30364115 0.74 PARP1 (0.42) KMT2AKDM4ESMYD3GAAMAPT
SCHEMBL17591930 0.72 MAPK1 (0.40) SMYD3
SCHEMBL21321950 0.69 HPGD (0.71) NPC1RAB9AKMT2AHPGDALDH1A1
SCHEMBL7901274 0.69 HPGD (0.71) NPC1RAB9AKMT2AHPGDALDH1A1
SCHEMBL7895741 0.68 HPGD (0.50) NPC1RAB9AKMT2AHPGDALDH1A1
SCHEMBL4486004 0.68 KMT2A (0.66) NPC1RAB9AKMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
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 (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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 NPC1 470/4885RAB9A 1749/4885KMT2A 2009/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 NPC1 709/4885RAB9A 2000/4885KMT2A 1817/4885

“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.