SCHEMBL2850099

SCHEMBL2850099

CCS(=O)(=O)O.Cc1nc(OCC(=O)N(C)C2CCN(Cc3ccccc3)CC2)nc(C)c1N

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
OPRM1 P35372 3/20 0.47
SIGMAR1 Q99720 4/20 0.45
DRD2 P14416 3/20 0.45
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
CCR4 P51679 2/20 0.43
MCHR1 Q99705 1/20 0.42
POLB P06746 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM3 P20309 2/20 0.41
SLC2A1 P11166 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CCR5 P51681 1/20 0.40
CCR3 P51677 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
SCHEMBL2839017 0.95 KCNH2 (0.48) KCNH2OPRM1SIGMAR1DRD2HTR2A
SCHEMBL2850149 0.94 KCNH2 (0.52) KCNH2OPRM1SIGMAR1DRD2HTR2A
SCHEMBL2843437 0.94 KCNH2 (0.46) KCNH2OPRM1SIGMAR1DRD2HTR2A
Hydrochloric Acid SCHEMBL2841731 0.94 KCNH2 (0.51) KCNH2OPRM1SIGMAR1DRD2HTR2A
Bromide SCHEMBL2840704 0.94 KCNH2 (0.51) KCNH2OPRM1SIGMAR1DRD2HTR2A
SCHEMBL2846424 0.91 KCNH2 (0.44) KCNH2OPRM1SIGMAR1DRD2HTR2A
Maleic Acid SCHEMBL2845354 0.90 SIGMAR1 (0.55) KCNH2OPRM1SIGMAR1DRD2HTR2A
Fumaric Acid SCHEMBL2845369 0.90 SIGMAR1 (0.55) KCNH2OPRM1SIGMAR1DRD2HTR2A
Nitric Acid SCHEMBL2849952 0.89 KCNH2 (0.47) KCNH2OPRM1SIGMAR1DRD2HTR2A
SCHEMBL13173235 0.89 KCNH2 (0.48) KCNH2OPRM1SIGMAR1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679586-B1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO CO LTD (JP) 2016-02-10 EP disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-11-13 US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
EP-2151439-B1 NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-26 EP disclosed
EP-2679586-A1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same Daiichi Sankyo Company, Limited (JP) 2014-01-01 EP disclosed
US-8592435-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-11-26 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
EP-2151439-A1 NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-02-10 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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF KCNH2 1878/4885OPRM1 500/4885SIGMAR1 1333/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 KCNH2 843/4885OPRM1 194/4885SIGMAR1 527/4885
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 KCNH2 843/4885OPRM1 194/4885SIGMAR1 527/4885
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 KCNH2 843/4885OPRM1 194/4885SIGMAR1 527/4885

“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.