SCHEMBL14930370

SCHEMBL14930370

Cc1ccc(C2=CCN(C3COC3)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.35
▸ SLC18A3 Q16572 2/20 0.35
▸ PARP1 P09874 3/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SOS1 Q07889 2/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ ATR Q13535 1/20 0.34
▸ QDPR P09417 1/20 0.33
▸ GABRA1 P14867 1/20 0.33

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
SCHEMBL14925547 0.84 SOS1 (0.38) BTKSLC18A3PARP1SOS1NAMPT
SCHEMBL16795078 0.77 SLC18A3 (0.40) SLC18A3PARP1QDPR
SCHEMBL20934727 0.77 SLC18A3 (0.40) SLC18A3PARP1ATRQDPR
SCHEMBL17664585 0.76 QDPR (0.58) QDPR
SCHEMBL20919593 0.72 CYP1B1 (0.38) SLC18A3
SCHEMBL16795094 0.72 LPL (0.42) SLC18A3
SCHEMBL29741962 0.71 BTK (0.54) BTK
SCHEMBL14914480 0.71 BTK (0.54) BTK
SCHEMBL20842182 0.70 SLC18A3 (0.47) SLC18A3PARP1QDPR
SCHEMBL25167305 0.70 ALDH1A1 (0.47) NAMPTQDPR

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
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 — — EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 — — EP disclosed
EP-3521288-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2021-09-08 — — EP disclosed
EP-3521288-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2019-08-07 — — EP disclosed
EP-3002284-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2019-05-22 — — EP disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 — — US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 — — US disclosed
EP-3002284-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-04-06 — — EP disclosed
US-9238655-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2016-01-19 — — US disclosed
EP-2773638-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2015-10-07 — — EP disclosed
US-8921353-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-12-30 — — US disclosed
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH INC (US) 2014-12-25 — — US disclosed
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2014-07-10 — — US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 — — US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 — — 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-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK BTK 2/4885SLC18A3 4679/4885PARP1 734/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 BTK 1/4885SLC18A3 4564/4885PARP1 945/4885
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885SLC18A3 4535/4885PARP1 990/4885
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 BTK 1/4885SLC18A3 4564/4885PARP1 945/4885

“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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