SCHEMBL15651663

SCHEMBL15651663

Nc1ccc(N2CCC[C@H](O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMPD3 Q9NY59 2/20 0.45
GFER P55789 4/20 0.43

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
SCHEMBL15652154 1.00 MAPT (0.53) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL2019193 1.00 MAPT (0.53) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL15650766 0.89 AR (0.49) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL6253761 0.89 MAPT (0.62) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL853367 0.89 AR (0.49) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL33623 0.89 AR (0.49) MAPTALDH1A1GAAKDM4EHTT
Hydrochloric Acid SCHEMBL5406643 0.87 MAPT (0.50) MAPTALDH1A1GAAKDM4EHTT
Hydrochloric Acid SCHEMBL5393462 0.87 MAPT (0.50) MAPTALDH1A1GAAKDM4EHTT
Hydrochloric Acid SCHEMBL1154260 0.87 MAPT (0.50) MAPTALDH1A1GAAKDM4EHTT
SCHEMBL6219283 0.86 MAPT (0.58) MAPTALDH1A1GAAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022203466-A1 NOVEL PHENYLAMINOPYRIMIDINE COMPOUND HAVING INHIBITORY ACTIVITY AGAINST LRRK2 AND USE THEREOF 주식회사 스탠다임 2022-09-29 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
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
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885ALDH1A1 4333/4885GAA 742/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 501/4885ALDH1A1 3674/4885GAA 940/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885ALDH1A1 4333/4885GAA 742/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885ALDH1A1 4184/4885GAA 698/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885ALDH1A1 4184/4885GAA 698/4885

“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.