SCHEMBL790700

SCHEMBL790700

CC(C)c1ccnc(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.52
NOS3 P29474 7/20 0.52
NOS1 P29475 4/20 0.37
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
NCF1 P14598 1/20 0.34
BACE1 P56817 1/20 0.34
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL30039026 1.00 NOS2 (0.52) NOS2NOS3NOS1F12PLAU
SCHEMBL9777733 0.80 NOS3 (0.35) NOS2NOS3NOS1P2RX3P2RX2
SCHEMBL29491137 0.80 NOS3 (0.35) NOS2NOS3NOS1P2RX3P2RX2
SCHEMBL17545822 0.80 NOS2 (0.56) NOS2NOS3NOS1F12PLAU
SCHEMBL30154660 0.80 NOS3 (0.40) NOS2NOS3NOS1P2RX3P2RX2
SCHEMBL21542734 0.80 NOS3 (0.40) NOS2NOS3NOS1P2RX3P2RX2
SCHEMBL28660054 0.79 NOS2 (0.45) NOS2NOS3NOS1TLR8TLR7
SCHEMBL22836961 0.78 NOS3 (0.34) NOS2NOS3NOS1P2RX3P2RX2
SCHEMBL20010424 0.78 NOS2 (0.39) NOS2NOS3NOS1F12PLAU
SCHEMBL19913884 0.78 NOS3 (0.34) NOS2NOS3NOS1HRH4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118286225-A 2-Amino-pyridine or 2-amino-pyrimidine derivatives as cyclin dependent kinase inhibitors 辉瑞公司 2024-07-05 CN disclosed
CN-112313219-B 2-Amino-pyridine or 2-amino-pyrimidine derivatives as cyclin dependent kinase inhibitors 辉瑞公司 2024-04-26 CN disclosed
CN-108689942-B Nitrogen-containing bicyclic compound, and preparation method and application thereof 广东东阳光药业有限公司 2023-06-09 CN disclosed
CN-113382991-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-12-27 CN disclosed
CN-113382991-A Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2021-09-10 CN disclosed
CN-110818690-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2021-08-10 CN disclosed
CN-108602799-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2021-08-03 CN disclosed
CN-110818690-A Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2020-02-21 CN disclosed
CN-108602802-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2020-01-21 CN disclosed
CN-108689942-A Nitrogenous dicyclic compound and its preparation method and application 广东东阳光药业有限公司 2018-10-23 CN disclosed
CN-108602802-A Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2018-09-28 CN disclosed
CN-108602799-A A kind of kinase inhibitor 上海复尚慧创医药研究有限公司 2018-09-28 CN disclosed
US-7238211-B2 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2007-07-03 US disclosed
US-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres VIDAL LAURENT 2006-05-04 US disclosed
US-20050086747-A1 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-04-28 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-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 NOS2 1952/4885NOS3 1961/4885NOS1 2671/4885
US-20050086747-A1 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 NOS2 1952/4885NOS3 1961/4885NOS1 2671/4885

“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.