SCHEMBL6081998

SCHEMBL6081998

Nc1ccc(CNCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
PDCD1 Q15116 2/20 0.51
CD274 Q9NZQ7 2/20 0.51
ANPEP P15144 1/20 0.47
ERAP2 Q6P179 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GFER P55789 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR2A P28223 1/20 0.42
GSR P00390 2/20 0.42
MCHR1 Q99705 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
CDK1 P06493 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL6391946 0.96 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1TSHRPDCD1CD274
SCHEMBL1625535 0.89 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1TSHRPDCD1CD274
Diethanolamine SCHEMBL1043914 0.84 MAPT (0.44) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL23648099 0.81 APP (0.44) SMN1; SMN2ALDH1A1TSHRPDCD1CD274
SCHEMBL15652557 0.81 POLB (0.63) SMN1; SMN2MEN1KMT2ATDP1MCHR1
SCHEMBL2125786 0.81 TDP1 (0.55) ALDH1A1TSHRANPEPERAP2MEN1
SCHEMBL3653561 0.81 GFER (0.52) SMN1; SMN2ALDH1A1TSHRTDP1GFER
SCHEMBL16682342 0.80 GAA (0.59) ALDH1A1GFERHTR2A
SCHEMBL11049168 0.80 MC4R (0.53) SMN1; SMN2ALDH1A1TSHRANPEPERAP2
SCHEMBL1822940 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRPDCD1CD274

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 15 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
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
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed
EP-1551810-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT Aventis Pharma Deutschland GmbH (DE) 2005-07-13 EP disclosed
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 US disclosed
WO-2004011438-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-05 WO disclosed
US-5230710-A SUBSTITUTED 2,6-DIAMINOTOLUENES, PROCESSES FOR THEIR PREPARATION AND COLORING AGENTS FOR KERATINIC FIBERS COMPRISING THESE COMPOUNDS HANS SCHWARZKOPF GMBH (DE) 1993-07-27 US disclosed
US-4196145-A OXIDATION COLOR DYES CLAIROL INCORPORATED (US) 1980-04-01 US disclosed
US-4092102-A HAIR DYES, OXIDATION DYES CLAIROL INCORPORATED (US) 1978-05-30 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 (6 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 SMN1; SMN2 882/4885ALDH1A1 4333/4885TSHR 1137/4885
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments GPR119, GLP1R, SLC5A2 SMN1; SMN2 3972/4885ALDH1A1 1096/4885TSHR 919/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 835/4885ALDH1A1 3674/4885TSHR 1435/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 882/4885ALDH1A1 4333/4885TSHR 1137/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SMN1; SMN2 986/4885ALDH1A1 4184/4885TSHR 1024/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SMN1; SMN2 986/4885ALDH1A1 4184/4885TSHR 1024/4885

“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.