SCHEMBL5777337

SCHEMBL5777337

CN1CCN(c2cc(C=NNc3ccc(-c4cnco4)cc3)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.49
WNT1 P04628 8/20 0.48
DYRK1A Q13627 8/20 0.48
GSK3B P49841 6/20 0.48
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
IMPDH2 P12268 2/20 0.36
PIKFYVE Q9Y2I7 1/20 0.36
ROCK2 O75116 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5780655 0.86 JAK3 (0.51) JAK3WNT1DYRK1AGSK3BMAOA
SCHEMBL5779730 0.84 JAK3 (0.64) JAK3MAOAMAOBCA2CA7
SCHEMBL5779732 0.84 JAK3 (0.64) JAK3MAOAMAOBCA2CA7
SCHEMBL5774553 0.79 NPC1 (0.40) NPC1RAB9AGAALMNAPKM
SCHEMBL5779129 0.79 PTK2 (0.39) NPC1RAB9AGAALMNAPKM
SCHEMBL5774952 0.79 NPC1 (0.39) NPC1RAB9AGAALMNAPKM
SCHEMBL5776228 0.77 RAB9A (0.55) NPC1RAB9AGAALMNAPKM
SCHEMBL14742652 0.77 RAB9A (0.55) NPC1RAB9AGAALMNAPKM
Hydrochloric Acid SCHEMBL5778200 0.76 RAB9A (0.57) NPC1RAB9AGAALMNAPKM
SCHEMBL5777456 0.76 JAK3 (0.51) JAK3WNT1DYRK1AGSK3BMAOA

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-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 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 (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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT JAK3 4560/4885WNT1 479/4885DYRK1A 4185/4885

“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.