SCHEMBL1569976

SCHEMBL1569976

[O]C1CCN(CCO)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.48
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 4/20 0.40
PKM P14618 1/20 0.40
HSD11B1 P28845 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR4 Q13639 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL16109628 0.85
SCHEMBL5069754 0.79 ALDH1A1 (0.50) SLC18A3ALDH1A1KDM4EKMT2APKM
SCHEMBL916463 0.79 SLC18A3 (0.48) SLC18A3ALDH1A1KDM4EKMT2APKM
SCHEMBL16109491 0.78 SLC18A3 (0.44) SLC18A3ALDH1A1KDM4EKMT2APKM
SCHEMBL1569807 0.78
SCHEMBL15582715 0.77 SLC18A3 (0.47) SLC18A3ALDH1A1KDM4EKMT2APKM
SCHEMBL3951308 0.77 SLC18A3 (0.47) SLC18A3ALDH1A1KDM4EKMT2APKM
SCHEMBL1316226 0.77 SLC18A3 (0.47) SLC18A3ALDH1A1KDM4EKMT2APKM
SCHEMBL916237 0.77 GNAI3 (0.50) SLC18A3ALDH1A1KDM4EKMT2APKM
SCHEMBL91689 0.77 CARM1 (0.56) SLC18A3ALDH1A1KDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029409-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-02-02 US claimed
US-9499522-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-11-22 US claimed
EP-2970231-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS Blueprint Medicines Corporation (US) 2016-01-20 EP claimed
WO-2014160521-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS BLUEPRINT MEDICINES CORPORATION (US) 2014-10-02 WO claimed
US-20140296206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2014-10-02 US claimed
US-9994552-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2018-06-12 US disclosed
US-20170029409-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-02-02 US disclosed
US-9499522-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-11-22 US disclosed
EP-2970231-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS Blueprint Medicines Corporation (US) 2016-01-20 EP disclosed
US-20140296206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2014-10-02 US disclosed
WO-2014160521-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS BLUEPRINT MEDICINES CORPORATION (US) 2014-10-02 WO disclosed
CN-101321748-B Isoquinoline derivatives ORGANON NV 2013-03-27 CN disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP 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 (4 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 SLC18A3 3773/4885ALDH1A1 2630/4885KDM4E 915/4885
US-20140296206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B SLC18A3 2136/4885ALDH1A1 629/4885KDM4E 2952/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 SLC18A3 4321/4885ALDH1A1 2281/4885KDM4E 1195/4885
US-20170029409-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B SLC18A3 2136/4885ALDH1A1 629/4885KDM4E 2952/4885

“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.