SCHEMBL2845347

SCHEMBL2845347

CCOc1ccc(N2CCC(N(C)C(=O)COc3nc(C)c(N)c(C)n3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ F10 P00742 6/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ LGMN Q99538 1/20 0.38
▸ CACNA2D1 P54289 3/20 0.38
▸ FKBP1A P62942 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PLAT P00750 1/20 0.38

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
SCHEMBL2841829 0.89 POLB (0.47) NPC1RAB9ASMN1; SMN2F10ALDH1A1
SCHEMBL2850034 0.83 GPR119 (0.40) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL13173230 0.83 NPY5R (0.47) SMN1; SMN2F10POLBF2PLAT
Hydrochloric Acid SCHEMBL2849158 0.82 NPY5R (0.47) SMN1; SMN2F10POLBF2PLAT
SCHEMBL13173130 0.81 POLB (0.48) NPC1RAB9ASMN1; SMN2F10ALDH1A1
SCHEMBL13173220 0.79 POLB (0.39) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2844576 0.78 POLB (0.40) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2844417 0.77 MEN1 (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2846367 0.77 POLB (0.38) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2850100 0.77 POLB (0.38) KMT2AMEN1NPC1RAB9ASMN1; 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 7 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
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 (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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF KMT2A 4167/4885MEN1 4143/4885NPC1 1685/4885
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 KMT2A 4113/4885MEN1 4279/4885NPC1 2001/4885

“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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