SCHEMBL2850213

SCHEMBL2850213

Cc1cnc(N)nc1NC(OC(=O)/C=C\C(=O)OC(Nc1nc(N)ncc1C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1)C(=O)N(C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.44
▸ DRD2 P14416 6/20 0.44
▸ HTR2A P28223 6/20 0.44
▸ HTR2C P28335 6/20 0.44
▸ HTR2B P41595 6/20 0.44
▸ GMNN O75496 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ PMP22 Q01453 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ CHRM4 P08173 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL2843829 0.79 KCNH2 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
Maleic Acid SCHEMBL2850208 0.79 SIGMAR1 (0.52) SIGMAR1DRD2HTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL2850216 0.79 SIGMAR1 (0.52) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2845365 0.74 SIGMAR1 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL16232439 0.74 KCNH2 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2845341 0.69 DRD2 (0.51) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2845283 0.69 KCNH2 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2842801 0.68 KCNH2 (0.53) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL2845350 0.68 FFAR2 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL17506027 0.68 FFAR2 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B

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 10 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-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 SIGMAR1 1333/4885DRD2 2001/4885HTR2A 2496/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 SIGMAR1 527/4885DRD2 1753/4885HTR2A 2633/4885
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 SIGMAR1 527/4885DRD2 1753/4885HTR2A 2633/4885
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 SIGMAR1 527/4885DRD2 1753/4885HTR2A 2633/4885

“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.

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