SCHEMBL1097306

SCHEMBL1097306

CC(C)Nc1ccnc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.47
NOS2 P35228 4/20 0.47
NOS1 P29475 3/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
SCN9A Q15858 1/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NTSR1 P30989 1/20 0.38
RAD52 P43351 1/20 0.38
BLM P54132 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL30257685 1.00 NOS3 (0.47) NOS3NOS2NOS1KMT2AKDM4E
SCHEMBL30448992 0.79 TLR8 (0.44) NOS3NOS2NOS1KMT2AKDM4E
SCHEMBL30447920 0.79 TLR8 (0.44) NOS3NOS2NOS1KMT2AKDM4E
SCHEMBL17108502 0.78 UHRF1 (0.46) KMT2AMEN1JAK2TDP1RECQL
SCHEMBL29654114 0.77
SCHEMBL1099009 0.77
SCHEMBL12356608 0.76 TDP1 (0.40) KMT2ATDP1RECQLL3MBTL1POLB
SCHEMBL21724896 0.76 AR (0.41) KMT2ATDP1RECQLL3MBTL1POLB
SCHEMBL12368480 0.76 SMARCA2 (0.47) KMT2ATDP1RECQLL3MBTL1POLB
SCHEMBL27989136 0.76 TDP1 (0.40) KMT2ATDP1RECQLL3MBTL1POLB

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
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 US disclosed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO 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 (5 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NOS3 612/4885NOS2 3170/4885NOS1 3493/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 NOS3 213/4885NOS2 507/4885NOS1 349/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NOS3 817/4885NOS2 3467/4885NOS1 3333/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 NOS3 171/4885NOS2 505/4885NOS1 291/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 NOS3 1767/4885NOS2 2709/4885NOS1 3103/4885

“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.