SCHEMBL5779327

SCHEMBL5779327

CN1CCc2nc(C=NNc3ccc(-c4cnco4)cc3)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.47
JAK3 P52333 1/20 0.40
GRM5 P41594 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
F10 P00742 5/20 0.34
TRPV1 Q8NER1 1/20 0.33
QPCT Q16769 1/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5776711 0.85 BRD4 (0.40) ROCK2JAK3GRM5BRD4CREBBP
SCHEMBL5779815 0.82 GPR119 (0.46) ROCK2BRD4CREBBP
SCHEMBL5779808 0.82 GPR119 (0.46) ROCK2BRD4CREBBP
SCHEMBL5779994 0.80 WNT1 (0.34) JAK3LMNAPKMIMPDH2IMPDH1
SCHEMBL5779732 0.71 JAK3 (0.64) JAK3LMNAIMPDH2MEN1KMT2A
SCHEMBL5779730 0.71 JAK3 (0.64) JAK3LMNAIMPDH2MEN1KMT2A
SCHEMBL5780655 0.69 JAK3 (0.51) ROCK2JAK3LMNAPKMQPCT
SCHEMBL5778469 0.69 PTK2 (0.41) JAK3LMNAPKMIMPDH2IMPDH1
SCHEMBL5775215 0.69 CD38 (0.43) JAK3LMNAPKMQPCTIMPDH2
SCHEMBL5780662 0.68 CDK4 (0.41) LMNAPKMIMPDH2IMPDH1MEN1

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 ROCK2 4262/4885JAK3 4560/4885GRM5 1561/4885

“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.