SCHEMBL5775263

SCHEMBL5775263

CNCc1csc(C=NNc2ccc(-c3cnco3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
IMPDH2 P12268 2/20 0.37
IMPDH1 P20839 1/20 0.37
PKM P14618 3/20 0.36
LMNA P02545 2/20 0.36
PTK2 Q05397 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NOTUM Q6P988 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5780289 0.87 IMPDH2 (0.38) IMPDH2IMPDH1PKMLMNAPTK2
SCHEMBL5778194 0.84 CDK4 (0.39) CDK4CCND1CCNE1CDK2IMPDH2
SCHEMBL5774837 0.82 IMPDH2 (0.39) IMPDH2IMPDH1PKMLMNAAAK1
SCHEMBL5780662 0.79 CDK4 (0.41) CDK4CCND1CCNE1CDK2IMPDH2
SCHEMBL5778597 0.79 NPC1 (0.36) IMPDH2IMPDH1PKMLMNAPTK2
SCHEMBL5912811 0.78 IMPDH2 (0.40) IMPDH2IMPDH1PKMLMNAAAK1
SCHEMBL5775549 0.78 IMPDH2 (0.40) IMPDH2IMPDH1PKMLMNAAAK1
SCHEMBL5779773 0.77 LMNA (0.40) IMPDH2IMPDH1PKMLMNAPTK2
SCHEMBL5779771 0.77 LMNA (0.40) IMPDH2IMPDH1PKMLMNAPTK2
SCHEMBL5779113 0.75 AAK1 (0.40) IMPDH2IMPDH1PKMLMNAPTK2

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 CDK4 2878/4885CCND1 1402/4885CCNE1 2430/4885

“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.