SCHEMBL13659752

SCHEMBL13659752

CC(C)c1ccc(-c2cccnc2N)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
RPS6KA5 O75582 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
SYK P43405 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
DGAT1 O75907 1/20 0.35
ALOX5AP P20292 5/20 0.34
FEN1 P39748 5/20 0.34
AKT1 P31749 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL624495 0.78 MKNK1 (0.54) MAP4K4NOS3NOS1NOS2MKNK1
SCHEMBL13662739 0.78 CCR1 (0.52) MAP4K4NOS3NOS1NOS2RPS6KA5
SCHEMBL18545116 0.75 IDO1 (0.43) CYP11B1CYP11B2ALOX5APFEN1MAPT
SCHEMBL15104643 0.75 MAP4K4 (0.42) MAP4K4NOS3NOS1NOS2RPS6KA5
SCHEMBL13822147 0.74 RPS6KA5 (0.43) MAP4K4NOS3NOS1NOS2CYP11B1
SCHEMBL13602061 0.74 CCR1 (0.46) CYP11B1CYP11B2MAPTRAB9A
SCHEMBL12406123 0.74 KDM4E (0.54) CYP11B1CYP11B2MAPTRAB9ATGFBR1
SCHEMBL24453728 0.73 KDM1A (0.48) CYP11B1CYP11B2ALOX5APFEN1MAPT
SCHEMBL2609360 0.73 IDO1 (0.43) CYP11B1CYP11B2ALOX5APFEN1
SCHEMBL13728992 0.73 CYP11B1 (0.49) CYP11B1CYP11B2ALOX5APFEN1MAPT

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
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 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-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 MAP4K4 3373/4885NOS3 2152/4885NOS1 2996/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 MAP4K4 3373/4885NOS3 2152/4885NOS1 2996/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 MAP4K4 3054/4885NOS3 1939/4885NOS1 2843/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 MAP4K4 3373/4885NOS3 2152/4885NOS1 2996/4885

“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.