SCHEMBL9953033

SCHEMBL9953033

CN1CCC(n2cc(N)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.47
ALOX15 P16050 1/20 0.44
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BMPR1A P36894 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
EGFR P00533 2/20 0.35
MET P08581 1/20 0.34
NTRK1 P04629 1/20 0.34
MELK Q14680 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
KHK P50053 1/20 0.34
NAMPT P43490 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 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
SCHEMBL31361718 1.00 KDM5A (0.47) KDM5AALOX15GAASMN1; SMN2BMPR1A
SCHEMBL23685815 1.00 KDM5A (0.47) KDM5AALOX15GAASMN1; SMN2BMPR1A
SCHEMBL17076683 0.90 KDM5A (0.43) KDM5AALOX15GAASMN1; SMN2BMPR1A
SCHEMBL531181 0.90 KDM5A (0.43) KDM5AALOX15GAASMN1; SMN2BMPR1A
SCHEMBL216558 0.90 ALOX15 (0.50) KDM5AALOX15GAASMN1; SMN2BMPR1A
Hydrochloric Acid SCHEMBL15145595 0.88 ALOX15 (0.49) KDM5AALOX15GAASMN1; SMN2BMPR1A
SCHEMBL15894946 0.86 KDM5A (0.40) KDM5AALOX15GAASMN1; SMN2BMPR1A
SCHEMBL30962782 0.84 ALOX15 (0.45) KDM5AALOX15GAASMN1; SMN2BMPR1A
SCHEMBL15244353 0.84 ALOX15 (0.45) KDM5AALOX15GAASMN1; SMN2BMPR1A
SCHEMBL28104875 0.83 KDM5A (0.44) KDM5AALOX15METMELKFLT4

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022206939-A1 HETEROCYCLIC COMPOUND SERVING AS FGFR INHIBITOR AND APPLICATION THEREOF 海南耀臻生物医药科技有限公司 2022-10-06 WO disclosed
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
EP-3099695-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-12-07 EP disclosed
CN-104736533-B Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2016-12-07 CN disclosed
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN disclosed
WO-2013042006-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. (US) 2013-03-28 WO disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 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 (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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM5A 2286/4885ALOX15 2913/4885GAA 742/4885
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS KDM5A 1106/4885ALOX15 3928/4885GAA 3431/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM5A 2123/4885ALOX15 2780/4885GAA 698/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM5A 2123/4885ALOX15 2780/4885GAA 698/4885
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 KDM5A 2034/4885ALOX15 4817/4885GAA 2876/4885

“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.