SCHEMBL560134

SCHEMBL560134

Nc1nc(C2CCCCC2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
NUDT1 P36639 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
APP P05067 2/20 0.54
DCPS Q96C86 1/20 0.50
ATM Q13315 1/20 0.49
CHRNA7 P36544 1/20 0.48
ADORA2A P29274 2/20 0.46
PDE5A O76074 2/20 0.46
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DHFR P00374 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 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
SCHEMBL6975725 0.84 NUDT1 (0.53) L3MBTL1TDP1NUDT1HSD17B10ALDH1A1
SCHEMBL4703657 0.81 TDP1 (0.58) L3MBTL1TDP1NUDT1HSD17B10ALDH1A1
SCHEMBL28263786 0.81 L3MBTL1 (0.66) L3MBTL1TDP1ATMCHRNA7PDE5A
SCHEMBL2534009 0.80 TDP1 (0.69) L3MBTL1TDP1ALDH1A1ATMCHRNA7
SCHEMBL18943805 0.80 TDP1 (0.65) L3MBTL1TDP1NUDT1HSD17B10ALDH1A1
SCHEMBL30013732 0.80 TDP1 (0.69) L3MBTL1TDP1ALDH1A1ATMCHRNA7
SCHEMBL30013876 0.80 TDP1 (0.60) L3MBTL1TDP1APPATMCHRNA7
Hydrochloric Acid SCHEMBL23063743 0.77 NUDT1 (0.49) L3MBTL1TDP1NUDT1HSD17B10ALDH1A1
SCHEMBL6968387 0.76 ALDH1A1 (0.51) NUDT1HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL6976291 0.75 LMNA (0.55) L3MBTL1NUDT1HSD17B10ALDH1A1CYP1A2

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
CN-102068434-B Application of 4-(cyclohexyl)-aminoquinazoline compounds ZHIHUA LIN 2012-08-22 CN disclosed
CN-102068434-B Application of 4-(cyclohexyl)-aminoquinazoline compounds ZHIHUA LIN 2012-08-22 CN disclosed
CN-102068434-B Application of 4-(cyclohexyl)-aminoquinazoline compounds ZHIHUA LIN 2012-08-22 CN disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
CN-102068434-A Application of 4-(cyclohexyl)-aminoquinazoline compounds ZHIHUA LIN 2011-05-25 CN disclosed
CN-102068434-A Application of 4-(cyclohexyl)-aminoquinazoline compounds ZHIHUA LIN 2011-05-25 CN disclosed
CN-102068434-A Application of 4-(cyclohexyl)-aminoquinazoline compounds ZHIHUA LIN 2011-05-25 CN disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 L3MBTL1 2693/4885TDP1 3716/4885NUDT1 3442/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 L3MBTL1 2693/4885TDP1 3716/4885NUDT1 3442/4885

“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.