SCHEMBL16450076

SCHEMBL16450076

CCCNc1ccnc(NCCc2ccncc2)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.51
MRGPRX1 Q96LB2 1/20 0.51
MKNK1 Q9BUB5 12/20 0.50
MKNK2 Q9HBH9 12/20 0.50
DNM2 P50570 2/20 0.50
FLT3 P36888 1/20 0.47
KCNH3 Q9ULD8 1/20 0.46

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
SCHEMBL657460 0.78 MRGPRX1 (0.57) HTR7MRGPRX1DNM2
SCHEMBL19477219 0.77 DNM2 (0.71) DNM2
SCHEMBL15584142 0.76 FLT3 (0.56) MKNK1MKNK2FLT3
SCHEMBL1401613 0.75 DNM2 (0.78) DNM2KCNH3
SCHEMBL4906864 0.75 MKNK1 (0.71) MKNK1MKNK2KCNH3
SCHEMBL28133994 0.74 HPGD (0.59) MKNK1MKNK2KCNH3
SCHEMBL28661902 0.74 DNM2 (0.64) DNM2
SCHEMBL2021808 0.74 MKNK1 (0.47) HTR7MKNK1MKNK2FLT3
SCHEMBL2023032 0.73 MKNK1 (0.58) MKNK1MKNK2FLT3
SCHEMBL15584085 0.72 FLT3 (0.58) MKNK1MKNK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 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 (1 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-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FLT3, NPM1, ABL1 HTR7 4624/4885MRGPRX1 2895/4885MKNK1 356/4885

“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.