SCHEMBL2955070

SCHEMBL2955070

CN(C)CCCNc1nc(N2CCc3ccccc3C2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
EHMT2 Q96KQ7 1/20 0.49
RAD52 P43351 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
SLC2A1 P11166 1/20 0.49
APOBEC3A P31941 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47

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
SCHEMBL2947363 0.94 ADAMTS4 (0.51) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2953910 0.90 CACNA2D1 (0.47) KDM1AEHMT2RAD52POLBSLC2A1
SCHEMBL1090406 0.88 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2945982 0.85 GBA1 (0.47) POLBKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1090567 0.85 MRGPRX1 (0.60) KDM1AEHMT2RAD52NPC1POLB
SCHEMBL1090466 0.84 GRIN2D (0.53) POLBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1090582 0.84 MRGPRX1 (0.59) KDM1AEHMT2RAD52NPC1POLB
SCHEMBL1088747 0.84 MRGPRX1 (0.59) KDM1AEHMT2RAD52NPC1POLB
SCHEMBL1089882 0.84 MRGPRX1 (0.59) KDM1AEHMT2RAD52NPC1POLB
SCHEMBL1091393 0.83 HRH3 (0.54) RAD52NPC1POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 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 (3 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 KDM1A 2652/4885EHMT2 2402/4885RAD52 4478/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 KDM1A 2652/4885EHMT2 2402/4885RAD52 4478/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 KDM1A 2652/4885EHMT2 2402/4885RAD52 4478/4885

“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.