SCHEMBL4758183

SCHEMBL4758183

O=C(NCc1ncc(-c2ccncc2)s1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
HPGD P15428 4/20 0.45
TSHR P16473 4/20 0.45
HTT P42858 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PTBP1 P26599 1/20 0.43
KLF5 Q13887 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL4758488 0.80 ERCC5 (0.48) SMN1; SMN2
SCHEMBL14304069 0.73 PDPK1 (0.57)
SCHEMBL9401179 0.73 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDTSHRHTT
SCHEMBL23083370 0.71 ROCK2 (0.71)
SCHEMBL4194312 0.71 VNN1 (0.62) ALDH1A1HPGDTSHRHTTKMT2A
SCHEMBL31185460 0.71 VNN1 (0.62) ALDH1A1HPGDTSHRHTTKMT2A
SCHEMBL14289648 0.71 TSHR (0.48) ALDH1A1KDM4EHPGDTSHRHTT
SCHEMBL5109338 0.71 LMNA (0.49) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL4790140 0.70 LMNA (0.84) ALDH1A1KDM4EHPGDTSHRHTT
SCHEMBL5110423 0.70 ROCK2 (0.53) ALDH1A1KDM4ETSHRLMNASMN1; SMN2

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 ABL1 134/4885ALDH1A1 3968/4885KDM4E 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.