SCHEMBL3608725

SCHEMBL3608725

COC(=O)c1ccc(NCCN)nc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
GAA P10253 4/20 0.40
HSD17B10 Q99714 4/20 0.40
GLA P06280 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
ATM Q13315 1/20 0.40
CFTR P13569 2/20 0.39
ABL1 P00519 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 2/20 0.38
SYK P43405 5/20 0.37
KCNH2 Q12809 3/20 0.37
PTGER4 P35408 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
KCNQ3 O43525 1/20 0.35

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
Hydrochloric Acid SCHEMBL1514032 0.99 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL3613321 0.87 KDM4E (0.46) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL15652833 0.83 KDM4C (0.48) KDM4ESYKKCNH2KDM4C
SCHEMBL8002972 0.82 HRH3 (0.38) KDM4EHSD17B10CASP1CASP7ALOX15
Hydrochloric Acid SCHEMBL1961301 0.81 HRH3 (0.37) KDM4EHSD17B10CASP1CASP7ALOX15
SCHEMBL1119535 0.78 HRH3 (0.41) KDM4ESYKKCNH2KDM4C
Hydrochloric Acid SCHEMBL1514075 0.77 HRH3 (0.40) KDM4ESYKKCNH2KDM4C
SCHEMBL23673885 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL20306004 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHSD17B10GLA
SCHEMBL1119602 0.73 SYK (0.37) KDM4EHSD17B10CASP1CASP7ALOX15

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 38 patents — showing the first 20. 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-9434731-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 US disclosed
US-9434731-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 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
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
EP-2176264-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE Bayer Schering Pharma AG (DE) 2010-04-21 EP disclosed
US-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES BOEHRINGER MARKUS 2010-04-08 US disclosed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2009007029-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 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 (8 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 ALDH1A1 4333/4885KDM4E 1662/4885GAA 742/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 3674/4885KDM4E 1409/4885GAA 940/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885KDM4E 1662/4885GAA 742/4885
US-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES DPP4, GPR119, IAPP ALDH1A1 199/4885KDM4E 317/4885GAA 1117/4885
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO ALDH1A1 2118/4885KDM4E 2988/4885GAA 1925/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885KDM4E 1645/4885GAA 698/4885
US-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 ALDH1A1 2818/4885KDM4E 3438/4885GAA 2611/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885KDM4E 1645/4885GAA 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.