SCHEMBL13633334

SCHEMBL13633334

CCOC(=O)c1c(C)nc2ccc(C)cn12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.68
NPC1 O15118 1/20 0.68
MAPK1 P28482 4/20 0.66
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 6/20 0.54
GAA P10253 3/20 0.54
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 6/20 0.50
RXFP1 Q9HBX9 3/20 0.50
MAPT P10636 2/20 0.50
HCRTR1 O43613 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.47

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
SCHEMBL22279584 0.86 RAB9A (0.65) RAB9ANPC1MAPK1KMT2AKDM4E
SCHEMBL6223693 0.86 MAPK1 (0.63) RAB9ANPC1MAPK1KMT2AKDM4E
SCHEMBL12928392 0.86 MAPK1 (0.63) RAB9ANPC1MAPK1KMT2AKDM4E
SCHEMBL19723638 0.85 RAB9A (0.58) RAB9ANPC1MAPK1KMT2AKDM4E
SCHEMBL13827004 0.83 MAPK1 (0.60) RAB9ANPC1MAPK1KMT2AKDM4E
SCHEMBL18801119 0.82 MAPK1 (0.59) RAB9ANPC1MAPK1KMT2AKDM4E
SCHEMBL12295460 0.82 MAPK1 (0.66) RAB9ANPC1MAPK1KMT2AKDM4E
SCHEMBL19723665 0.81 NPC1 (1.00) RAB9ANPC1MAPK1KMT2AKDM4E
SCHEMBL19723692 0.81 RAB9A (0.48) RAB9ANPC1MAPK1KMT2AKDM4E
SCHEMBL10242673 0.80 KMT2A (0.61) RAB9ANPC1KMT2AKDM4EGAA

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-20210009583-A1 DEUTERATED IMIDAZOPYRIDINES UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-01-14 US disclosed
WO-2019175737-A1 DEUTERATED IMIDAZOPYRIDINES UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-09-19 WO disclosed
US-7615639-B2 1-pyridyl-benzofuro[3,2-b]pyridin-2(1H)-ones TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-11-10 US disclosed
US-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-11-15 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-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones CBR1, HRH4, CYP4B1 RAB9A 3284/4885NPC1 1013/4885MAPK1 2120/4885
US-20210009583-A1 DEUTERATED IMIDAZOPYRIDINES SDHA, PDF, IDH2 RAB9A 2939/4885NPC1 3736/4885MAPK1 835/4885

“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.