SCHEMBL5117005

SCHEMBL5117005

O=C(NCc1nc(-c2c[nH]c3ncccc23)n[nH]1)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPK10 P53779 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CAMKK2 Q96RR4 2/20 0.42
ROCK1 Q13464 2/20 0.41
POLB P06746 1/20 0.41
ADORA2A P29274 1/20 0.41
DYRK1B Q9Y463 2/20 0.40
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAPK8 P45983 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL5122984 0.83 CAMKK2 (0.51) CAMKK2ROCK1ADORA2ADYRK1BCHEK1
SCHEMBL4789857 0.79 PDPK1 (0.58) ROCK1GSK3BCDK5DYRK1APDPK1
SCHEMBL5122742 0.79 ROCK2 (0.45) CAMKK2ADORA2AMAP4K4PIM1PRKACA
SCHEMBL14289640 0.79 ADORA2A (0.44) CAMKK2ROCK1ADORA2ADYRK1BPDPK1
SCHEMBL857650 0.79 HPGD (0.51) TSHRMAPK10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5110423 0.78 ROCK2 (0.53) TSHRMAPK10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14289641 0.76 JAK3 (0.47) CAMKK2ROCK1CHEK1DAPK3PIM1
SCHEMBL14311088 0.76 CDC7 (0.48) CAMKK2ROCK1ADORA2ADYRK1BCHEK1
SCHEMBL5114855 0.75 ROCK2 (0.52) ROCK1GSK3BCDK5DYRK1AROCK2
SCHEMBL4789988 0.74 PDPK1 (0.49) CAMKK2ROCK1DYRK1BDAPK3MAP4K4

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 4 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
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 TSHR 4034/4885MAPK10 340/4885SMN1; SMN2 3000/4885

“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.