SCHEMBL17240002

SCHEMBL17240002

Cn1cc(-c2cnc3ccc(NC(=S)NNC(=O)CCc4ccccc4)nc3c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.68
AURKB Q96GD4 6/20 0.68
NTRK1 P04629 2/20 0.68
YES1 P07947 2/20 0.68
PIM1 P11309 1/20 0.68
ABL1 P00519 1/20 0.55
WNT1 P04628 4/20 0.54
GSK3B P49841 4/20 0.54
DYRK1A Q13627 4/20 0.54
MET P08581 2/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
MST1R Q04912 1/20 0.46
EP300 Q09472 3/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL15884535 0.91 MAPK1 (0.67) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL17251852 0.88 MAPK1 (0.60) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL21708381 0.88 MAPK1 (0.68) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL17251871 0.85 MAPK1 (0.60) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL17251849 0.84 MAPK1 (0.59) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL1933387 0.81 MAPK1 (1.00) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL15884825 0.81 MAPK1 (0.62) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL15883804 0.81 MAPK1 (0.62) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL19441788 0.80 MAPK1 (0.62) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL14681532 0.80 AURKB (0.68) MAPK1AURKBNTRK1YES1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 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-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN MAPK1 149/4885AURKB 3921/4885NTRK1 3350/4885

“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.