SCHEMBL5776711

SCHEMBL5776711

O=C(O)N1CCc2nc(C=NNc3ccc(-c4cnco4)cc3)sc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
ROCK2 O75116 2/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
JAK3 P52333 1/20 0.38
GRM5 P41594 6/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HDAC3 O15379 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL5779808 0.88 GPR119 (0.46) BRD4CREBBPROCK2GPR119
SCHEMBL5779815 0.88 GPR119 (0.46) BRD4CREBBPROCK2GPR119
SCHEMBL5779327 0.85 ROCK2 (0.47) BRD4CREBBPROCK2PKMLMNA
SCHEMBL5779994 0.78 WNT1 (0.34) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL5776708 0.75 ROCK2 (0.41) BRD4CREBBPROCK2NPC1RAB9A
SCHEMBL2844843 0.70 CREBBP (0.51) BRD4CREBBPNPC1RAB9AKDM4E
SCHEMBL5779193 0.69 JAK3 (0.41) BRD4CREBBPNPC1RAB9AKDM4E
SCHEMBL5779195 0.69 JAK3 (0.41) BRD4CREBBPNPC1RAB9AKDM4E
SCHEMBL2449701 0.69 CREBBP (0.49) BRD4CREBBPROCK2NPC1RAB9A
SCHEMBL5775956 0.68 GAA (0.61) NPC1RAB9AKDM4EPKMALDH1A1

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 BRD4 309/4885CREBBP 107/4885ROCK2 4262/4885

“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.