SCHEMBL4790070

SCHEMBL4790070

CC(C)(C)C(=O)Oc1ccc(C(=O)NCc2nc(-c3ccncc3)nn2C(=O)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ROCK2 O75116 6/20 0.41
ROCK1 Q13464 6/20 0.41
EGFR P00533 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
CYP3A4 P08684 6/20 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
SCHEMBL14320243 0.89 LMNA (0.39) LMNAROCK2ROCK1EGFRTUBB4A
SCHEMBL4790264 0.77 ROCK2 (0.53) LMNAROCK2CYP3A4MAPK14MMP13
SCHEMBL4790069 0.76 EGFR (0.42) ROCK2EGFRTUBB4ATUBBTUBA3C
SCHEMBL8848630 0.66 RAB9A (0.70) SMN1; SMN2ELANEHDAC1HDAC6
SCHEMBL21341748 0.66 ELANE (0.64) LMNAROCK2SMN1; SMN2CYP2C9ELANE
SCHEMBL20506137 0.65 KLKB1 (0.73) LMNASMN1; SMN2HTTCYP2C9MAPK1
SCHEMBL4790653 0.65 GRK2 (0.49) ROCK2
SCHEMBL4788086 0.65 GRK2 (0.49) ROCK2ELANE
SCHEMBL8848732 0.64 RAB9A (0.51) LMNASMN1; SMN2ELANEMAPK1HDAC6
SCHEMBL21490290 0.62 ROCK2 (0.75) LMNAROCK2ROCK1CYP3A4MAPK14

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 LMNA 1847/4885ROCK2 2/4885ROCK1 1/4885

“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.