SCHEMBL14320243

SCHEMBL14320243

C=C(C)C(=O)n1nc(-c2ccncc2)nc1CNC(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
EGFR P00533 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
CYP3A4 P08684 7/20 0.38
MAPK14 Q16539 5/20 0.38
MMP13 P45452 3/20 0.38

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
SCHEMBL4790070 0.89 LMNA (0.41) LMNAEGFRTUBB4ATUBBTUBA3C
SCHEMBL4790264 0.74 ROCK2 (0.53) LMNACYP3A4MAPK14MMP13SMN1; SMN2
SCHEMBL4790069 0.67 EGFR (0.42) EGFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8848630 0.64 RAB9A (0.70) SMN1; SMN2ELANEHDAC1HDAC6
SCHEMBL21341748 0.63 ELANE (0.64) LMNASMN1; SMN2ROCK2CYP2C9ELANE
SCHEMBL4788086 0.62 GRK2 (0.49) ROCK2ELANE
SCHEMBL4790653 0.62 GRK2 (0.49) ROCK2
SCHEMBL8848732 0.62 RAB9A (0.51) LMNASMN1; SMN2ELANEMAPK1HDAC6
SCHEMBL24355963 0.60 ELANE (0.49) LMNASMN1; SMN2HTTCYP2D6ELANE
SCHEMBL4790262 0.60 ELANE (0.46) CYP3A4ROCK2CYP2D6CYP2C9ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1847/4885EGFR 2176/4885TUBB4A 721/4885

“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.