SCHEMBL5780655

SCHEMBL5780655

CN1CCN(c2ccc(C=NNc3ccc(-c4cnco4)cc3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.51
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
WNT1 P04628 3/20 0.40
GSK3B P49841 3/20 0.40
DYRK1A Q13627 3/20 0.40
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ROCK2 O75116 1/20 0.37
KMT2A Q03164 1/20 0.36
QPCT Q16769 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5779730 0.88 JAK3 (0.64) JAK3MAOAMAOBCA2CA7
SCHEMBL5779732 0.88 JAK3 (0.64) JAK3MAOAMAOBCA2CA7
SCHEMBL5777337 0.86 JAK3 (0.49) JAK3MAOAMAOBWNT1GSK3B
SCHEMBL5777455 0.79 JAK3 (0.51) JAK3MAOAMAOBWNT1GSK3B
SCHEMBL5777456 0.79 JAK3 (0.51) JAK3MAOAMAOBWNT1GSK3B
SCHEMBL5777539 0.78 LMNA (0.39) KCNH2RAB9AKMT2ALMNAPKM
SCHEMBL5780336 0.78 LMNA (0.40) RAB9AKMT2AQPCTLMNAPKM
SCHEMBL5775757 0.75 JAK3 (0.47) JAK3MAOAMAOBCA2CA7
SCHEMBL5775753 0.75 JAK3 (0.47) JAK3MAOAMAOBCA2CA7
SCHEMBL5779271 0.74 NPC1 (0.47) RAB9AKMT2ALMNAPKMIMPDH2

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 4560/4885MAOA 1315/4885MAOB 2351/4885

“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.