Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2879855

N.Nc1nc(-c2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(N2CC(N3CCCNCC3)C2)n1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.59
CYP3A4 P08684 1/20 0.48
MET P08581 9/20 0.39

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
SCHEMBL2879852 0.87 ROCK2 (0.79) ROCK2CYP3A4MET
SCHEMBL2881483 0.75 ROCK2 (0.62) ROCK2CYP3A4MET
SCHEMBL8322678 0.74 ROCK2 (1.00) ROCK2CYP3A4MET
SCHEMBL13288505 0.71 ROCK2 (0.64) ROCK2CYP3A4MET
SCHEMBL8326576 0.71 ROCK2 (0.78) ROCK2CYP3A4MET
SCHEMBL8332879 0.71 ROCK2 (1.00) ROCK2CYP3A4MET
SCHEMBL2884432 0.70 ROCK2 (0.54) ROCK2CYP3A4MET
SCHEMBL2876315 0.69 ROCK2 (0.65) ROCK2CYP3A4MET
SCHEMBL13288490 0.69 ROCK2 (0.74) ROCK2CYP3A4MET
SCHEMBL8320407 0.69 ROCK2 (0.79) ROCK2CYP3A4MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER HEALTHCARE AG (DE) 2006-10-26 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-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors ROCK1, ROCK2, RHOA ROCK2 2/4885CYP3A4 2229/4885MET 1035/4885

“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.