SCHEMBL8001697

SCHEMBL8001697

Cc1cc(C(=O)N2CCOCC2)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.54
▸ POLB P06746 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 3/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MME P08473 2/20 0.43
▸ AR P10275 1/20 0.43
▸ TACR3 P29371 1/20 0.43
▸ SPR P35270 2/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL14925554 0.81 ALPL (0.51) ALPLPOLBKMT2AHTTALDH1A1
SCHEMBL14235824 0.81 ALPL (0.51) ALPLPOLBKMT2AHTTALDH1A1
SCHEMBL14213423 0.77 ALPL (0.48) ALPLPOLBKMT2AHTTALDH1A1
SCHEMBL23773410 0.76 TACR3 (0.57) ALPLKMT2ANPC1RAB9ATACR3
SCHEMBL13175665 0.73 AKR1C3 (0.57) MAPT
SCHEMBL2629288 0.73 POLB (0.56) POLBALDH1A1KDM4EMAPT
SCHEMBL22353354 0.72 HPGD (0.56) HTTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL6264286 0.72 TSHR (0.58) KMT2AHTTALDH1A1SMN1; SMN2TACR3
SCHEMBL31428828 0.71 POLB (0.59) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3137981 0.70 HTR2A (0.69) HTTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 — — 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 (1 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-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 ALPL 2734/4885POLB 1901/4885KMT2A 3222/4885

“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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