SCHEMBL10085530

SCHEMBL10085530

NCc1cnn(Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MPO P05164 2/20 0.47
CREBBP Q92793 4/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
CYP19A1 P11511 3/20 0.46
GABRA1 P14867 1/20 0.46
GABRR1 P24046 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
Hydrochloric Acid SCHEMBL21492606 0.98 L3MBTL1 (0.59) L3MBTL1ADORA2AADORA1MPOCREBBP
SCHEMBL31420829 0.86 L3MBTL1 (0.57) L3MBTL1ADORA2AADORA1MPOCREBBP
SCHEMBL2413457 0.83 L3MBTL1 (0.62) L3MBTL1ADORA2AADORA1MPOCREBBP
SCHEMBL21491759 0.82 LMNA (0.66) L3MBTL1CREBBPLOXL2GABRA1GABRR1
SCHEMBL9908393 0.81 L3MBTL1 (0.61) L3MBTL1ADORA2AADORA1MPOCREBBP
SCHEMBL19948883 0.81 L3MBTL1 (0.61) L3MBTL1ADORA2AADORA1MPOCREBBP
SCHEMBL1244019 0.81 L3MBTL1 (0.61) L3MBTL1ADORA2AADORA1MPOCREBBP
Hydrochloric Acid SCHEMBL3763491 0.81 L3MBTL1 (0.61) L3MBTL1ADORA2AADORA1MPOCREBBP
Hydrochloric Acid SCHEMBL21492580 0.81 LMNA (0.69) L3MBTL1CREBBPLOXL2GABRA1GABRR1
SCHEMBL31420605 0.80 L3MBTL1 (0.59) L3MBTL1ADORA2AADORA1MPOCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
EP-2970285-B1 FUSED TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
EP-2970285-A1 FUSED TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-20150150884-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2015-06-04 US disclosed
US-8980879-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-03-17 US disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
WO-2014164780-A1 FUSED TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256710-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
WO-2012044562-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 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 (7 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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A L3MBTL1 4059/4885ADORA2A 942/4885ADORA1 1825/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP L3MBTL1 4437/4885ADORA2A 1034/4885ADORA1 771/4885
US-20150150884-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 L3MBTL1 1066/4885ADORA2A 983/4885ADORA1 406/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP L3MBTL1 4437/4885ADORA2A 1034/4885ADORA1 771/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP L3MBTL1 4437/4885ADORA2A 1034/4885ADORA1 771/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP L3MBTL1 4437/4885ADORA2A 1034/4885ADORA1 771/4885
US-20140256710-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 L3MBTL1 1066/4885ADORA2A 983/4885ADORA1 406/4885

“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.