SCHEMBL13173132

SCHEMBL13173132

Cc1nc(OCC(=O)N(C)C2CCN(Cc3cccnc3)CC2)nc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KCNH2 Q12809 1/20 0.43
▸ CXCR4 P61073 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ UBE2M P61081 2/20 0.42
▸ DCUN1D1 Q96GG9 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ CHRM3 P20309 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL3155541 0.93 KMT2A (0.46) KMT2AKDM4EALDH1A1KCNH2CXCR4
Hydrochloric Acid SCHEMBL2846173 0.92 KMT2A (0.46) KMT2AKDM4EALDH1A1KCNH2CXCR4
SCHEMBL13173102 0.89 KCNH2 (0.53) KMT2AALDH1A1KCNH2SIGMAR1DRD4
SCHEMBL2839038 0.86 UBE2M (0.41) KMT2AKDM4EALDH1A1KCNH2CXCR4
SCHEMBL13173146 0.85 NPY5R (0.48) —
SCHEMBL13173108 0.84 MCHR1 (0.46) KMT2AKDM4EKCNH2LTA4H
SCHEMBL13173169 0.84 KCNH2 (0.50) KCNH2SIGMAR1LTA4H
SCHEMBL13173138 0.83 CCR3 (0.48) KDM4EKCNH2LTA4H
SCHEMBL13173148 0.83 ALDH1A1 (0.54) KMT2AKDM4EALDH1A1SIGMAR1DRD4
SCHEMBL13173158 0.83 KCNH2 (0.52) KDM4EALDH1A1KCNH2SIGMAR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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 4167/4885KDM4E 3343/4885ALDH1A1 3305/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 KMT2A 4113/4885KDM4E 3752/4885ALDH1A1 2632/4885

“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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