SCHEMBL4790256

SCHEMBL4790256

NCc1c[nH]c(-c2ccncc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.39
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CXCR2 P25025 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.35
AURKA O14965 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 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
SCHEMBL6596072 0.83 KMT2A (0.40) KDM4EALDH1A1LMNAMAPTCXCR2
SCHEMBL4788485 0.83 BRAF (0.40) KDM4EALDH1A1PKN1PKN2LMNA
Hydrochloric Acid SCHEMBL7340468 0.81 KMT2A (0.39) KDM4EALDH1A1LMNAMAPTCXCR2
Bromide SCHEMBL4788476 0.80 KDM4E (0.35) KDM4EALDH1A1PKN1PKN2LMNA
Hydroxyamine SCHEMBL7338060 0.79 KMT2A (0.37) KDM4EALDH1A1MAPTCXCR2GAA
SCHEMBL627585 0.72 MEN1 (0.39) ALOX5KDM4ELMNAMAPTGAA
SCHEMBL1233362 0.71 LMNA (0.40) KDM4EALDH1A1PKN1PKN2LMNA
SCHEMBL5042576 0.69 NISCH (0.39) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL30014280 0.69 CCNC (0.51) PKN1PKN2AURKBMAPK13CCNC
SCHEMBL1436268 0.69 LOXL2 (0.40) LOXL2KDM4EALDH1A1LMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA LOXL2 1089/4885ALOX5 1676/4885KDM4E 2460/4885

“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.