SCHEMBL1443593

SCHEMBL1443593

Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.61
MTOR P42345 6/20 0.61
PIK3R1 P27986 5/20 0.61
PKM P14618 1/20 0.58
KDM4E B2RXH2 3/20 0.58
HTT P42858 2/20 0.58
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 1/20 0.51
CREBBP Q92793 1/20 0.51
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
RICTOR Q6R327 1/20 0.50
RPTOR Q8N122 1/20 0.50

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 SCHEMBL30702225 0.98 PIK3CA (0.59) PIK3CAMTORPIK3R1PKMKDM4E
SCHEMBL1396153 0.95 PKM (0.58) PIK3CAMTORPIK3R1PKMKDM4E
SCHEMBL777894 0.89 HRH1 (0.55) PIK3CAMTORPIK3R1PKMKDM4E
SCHEMBL8973821 0.88 HTT (0.63) PIK3CAMTORPIK3R1KDM4EHTT
SCHEMBL7883060 0.86 PKM (0.51) PIK3CAMTORPIK3R1PKMKDM4E
SCHEMBL18383753 0.86 MAPT (0.51) PIK3CAMTORPIK3R1PKMKDM4E
SCHEMBL17309194 0.86 HRH4 (0.66) PIK3CAMTORPIK3R1PKMKDM4E
SCHEMBL9418611 0.85 HTT (0.61) PIK3CAMTORPIK3R1KDM4EHTT
SCHEMBL11150401 0.83 HRH4 (0.59)
SCHEMBL30192927 0.82 SMN1; SMN2 (0.56) PIK3CAMTORPIK3R1PKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024011663-A1 CENTROMERE PROTEIN CENP-M SMALL MOLECULE INHIBITOR CENPEMLIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学技术大学 2024-01-18 WO disclosed
US-20230365628-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-16 US disclosed
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
EP-2743262-B1 Method for Obtaining a Triazine Compound with at least one Tertiary Amino Group BOREALIS AGROLINZ MELAMINE (AT) 2016-04-27 EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 EP disclosed
EP-2743262-A1 Method for Obtaining a Triazine Compound with at least one Tertiary Amino Group Borealis Agrolinz Melamine GmbH (AT) 2014-06-18 EP disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
EP-2473486-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-11 EP disclosed
WO-2011026835-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 WO disclosed
WO-2011026835-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 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 (2 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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists HAMP, DHPS, SLC40A1 PIK3CA 3070/4885MTOR 2040/4885PIK3R1 4065/4885
US-20230365628-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 PIK3CA 4233/4885MTOR 1213/4885PIK3R1 1814/4885

“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.