SCHEMBL14353296

SCHEMBL14353296

COc1ccnc(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.41
▸ NOS3 P29474 4/20 0.41
▸ NOS2 P35228 4/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ MAOA P21397 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL2954177 0.80 NOS3 (0.52) IKBKBNOS3NOS2NOS1CA12
SCHEMBL29745025 0.80 NOS3 (0.52) IKBKBNOS3NOS2NOS1CA12
SCHEMBL3202404 0.78 IKBKB (0.45) IKBKBNOS3NOS2NOS1DYRK1A
SCHEMBL29513590 0.78 IKBKB (0.45) IKBKBNOS3NOS2NOS1DYRK1A
SCHEMBL31278202 0.77 MAOA (0.42) MAOACA12CA1CA2CA9
SCHEMBL4080571 0.77 MAOA (0.42) MAOACA12CA1CA2CA9
SCHEMBL2039823 0.77 IKBKB (0.41) IKBKBNOS3NOS2NOS1CA12
SCHEMBL7849683 0.77 IKBKB (0.41) IKBKBNOS3NOS2NOS1CA12
SCHEMBL8244559 0.77 IKBKB (0.44) IKBKBNOS3NOS2NOS1CA1
SCHEMBL1760983 0.77 DYRK1A (0.45) IKBKBNOS3NOS2NOS1DYRK1A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 — — WO claimed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 — — US claimed
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2025-07-24 — — US disclosed
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2025-03-04 — — US disclosed
CN-119019388-A 5-And 6-azaindole compounds for inhibiting Bcr-Abl tyrosine kinase 英莱汶公司 2024-11-26 — — CN disclosed
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 — — US disclosed
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 — — US disclosed
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2023-11-30 — — US disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 — — US disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 — — US disclosed
US-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2023-11-07 — — US disclosed
WO-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 — — WO disclosed
WO-2018013676-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2018-01-18 — — WO disclosed
CN-102365255-B Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2015-01-07 — — CN disclosed
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 — — WO disclosed
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 — — WO disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 — — US disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 — — US disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 — — US disclosed
CN-102365255-A Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2012-02-29 — — CN 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-11807638-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR IKBKB 296/4885NOS3 1978/4885NOS2 2246/4885
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 IKBKB 3600/4885NOS3 3387/4885NOS2 3652/4885
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR IKBKB 296/4885NOS3 1978/4885NOS2 2246/4885
US-20230382907-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR IKBKB 296/4885NOS3 1978/4885NOS2 2246/4885
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR IKBKB 296/4885NOS3 1978/4885NOS2 2246/4885

“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.

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