SCHEMBL19965804

SCHEMBL19965804

COCCN1CCn2nc(NO)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ SHMT2 P34897 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ WNT1 P04628 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
SCHEMBL14930268 0.80 KDM4E (0.35) BTKRXFP1KDM4EMAPTALDH1A1
SCHEMBL14912399 0.79 MAP4K4 (0.36) BTKRXFP1KDM4EMAPTALDH1A1
SCHEMBL23652719 0.77 HDAC6 (0.41) BTKRXFP1HDAC6KDM4EMAPT
SCHEMBL14912100 0.75 BTK (0.45) BTK
SCHEMBL14926150 0.74 BTK (0.49) BTK
SCHEMBL23801513 0.74 BTK (0.32) BTKRXFP1KDM4EMAPTALDH1A1
SCHEMBL14912695 0.74 BTK (0.49) BTK
SCHEMBL14913421 0.74 CYP2D6 (0.36) BTKRXFP1KDM4EMAPTALDH1A1
SCHEMBL14912625 0.74 BTK (0.44) BTK
SCHEMBL14912161 0.71 EHMT2 (0.34) KDM4EMAPTALDH1A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48239-E1 Heteroaryl pyridone and aza-pyridone compounds GENETECH, INC. (US) 2020-10-06 — — US disclosed
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2020-02-27 — — US disclosed
US-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2019-06-27 — — US disclosed
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 — — 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 (3 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-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK BTK 2/4885RXFP1 4403/4885HDAC6 2978/4885
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK BTK 2/4885RXFP1 4403/4885HDAC6 2978/4885
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885RXFP1 4443/4885HDAC6 2171/4885

“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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