SCHEMBL2953260

SCHEMBL2953260

COc1ccc2nc(NCCN(C)C)nc(N3CCCCCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPIN4 Q56A73 1/20 0.56
SPIN3 Q5JUX0 1/20 0.56
SPIN2B Q9BPZ2 1/20 0.56
SPIN1 Q9Y657 1/20 0.56
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 3/20 0.48

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
SCHEMBL1089644 0.82 MRGPRX1 (0.61) SPIN4SPIN3SPIN2BSPIN1KMT2A
SCHEMBL1090089 0.82 MRGPRX1 (0.61) SPIN4SPIN3SPIN2BSPIN1KMT2A
SCHEMBL1089641 0.82 MRGPRX1 (0.61) SPIN4SPIN3SPIN2BSPIN1KMT2A
SCHEMBL1089104 0.81 MRGPRX1 (0.63) SPIN4SPIN3SPIN2BSPIN1KMT2A
SCHEMBL1088747 0.78 MRGPRX1 (0.59) SPIN4SPIN3SPIN2BSPIN1KMT2A
SCHEMBL1089882 0.78 MRGPRX1 (0.59) SPIN4SPIN3SPIN2BSPIN1KMT2A
SCHEMBL1090582 0.78 MRGPRX1 (0.59) SPIN4SPIN3SPIN2BSPIN1KMT2A
SCHEMBL1088763 0.77 MRGPRX1 (0.58) SPIN4SPIN3SPIN2BSPIN1KMT2A
SCHEMBL1090567 0.77 MRGPRX1 (0.60) SPIN4SPIN3SPIN2BSPIN1KMT2A
SCHEMBL2951519 0.76 SPIN4 (0.43) SPIN4SPIN3SPIN2BSPIN1KMT2A

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 SPIN4 4492/4885SPIN3 3433/4885SPIN2B 3785/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 SPIN4 4492/4885SPIN3 3433/4885SPIN2B 3785/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 SPIN4 4492/4885SPIN3 3433/4885SPIN2B 3785/4885

“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.