SCHEMBL17076926

SCHEMBL17076926

Nc1cnn(C2CCCN(C3COC3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ BMPR1A P36894 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ KIT P10721 1/20 0.36
▸ ATR Q13535 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ MAP3K12 Q12852 7/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ AXL P30530 2/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ PIK3R2 O00459 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PIK3R5 Q8WYR1 1/20 0.32
▸ PIK3R3 Q92569 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
SCHEMBL17076925 1.00 KDM5A (0.40) KDM5AKAT2BBMPR1AACVRL1ACVR1
SCHEMBL20476125 0.92 KDM5A (0.44) KDM5AKAT2BBMPR1AACVRL1ACVR1
SCHEMBL15652781 0.92 KDM5A (0.44) KDM5AKAT2BBMPR1AACVRL1ACVR1
SCHEMBL15652780 0.92 KDM5A (0.44) KDM5AKAT2BBMPR1AACVRL1ACVR1
SCHEMBL15650936 0.85 KIT (0.40) KDM5ABMPR1AACVRL1ACVR1LRRK2
SCHEMBL17076755 0.82 LRRK2 (0.42) KDM5ABMPR1AACVRL1ACVR1LRRK2
SCHEMBL2574462 0.80 KIT (0.48) KDM5ABMPR1AACVRL1ACVR1LRRK2
SCHEMBL15652587 0.78 BMPR1A (0.37) KDM5ABMPR1AACVRL1ACVR1LRRK2
SCHEMBL15651625 0.77 LRRK2 (0.43) KDM5ABMPR1AACVRL1ACVR1LRRK2
SCHEMBL531181 0.77 KDM5A (0.43) KDM5AKAT2BBMPR1AACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — 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 (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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM5A 2286/4885KAT2B 2922/4885BMPR1A 2499/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM5A 1963/4885KAT2B 4312/4885BMPR1A 2479/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM5A 2286/4885KAT2B 2922/4885BMPR1A 2499/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM5A 2123/4885KAT2B 2932/4885BMPR1A 2472/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM5A 2123/4885KAT2B 2932/4885BMPR1A 2472/4885

“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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