SCHEMBL4158530

SCHEMBL4158530

CN1NC(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)C2=C1c1nc(I)ncc1CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
MAPK1 P28482 6/20 0.39
AURKA O14965 3/20 0.38
GPR88 Q9GZN0 1/20 0.38
CYP3A4 P08684 2/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
CDC7 O00311 1/20 0.33
CHEK1 O14757 1/20 0.33
JAK2 O60674 1/20 0.33
PAK4 O96013 1/20 0.33
NTRK1 P04629 1/20 0.33
PRKCB P05771 1/20 0.33
INSR P06213 1/20 0.33
RET P07949 1/20 0.33
KIT P10721 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
FLT4 P35916 1/20 0.33

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
SCHEMBL4159768 0.76 CDK2 (0.50) AURKA
SCHEMBL13136011 0.68 GPR88 (0.54) ROCK2ROCK1MAPK1GPR88CYP3A4
SCHEMBL13626320 0.68 GPR88 (0.54) ROCK2ROCK1MAPK1GPR88CYP3A4
SCHEMBL4163194 0.67 CDK2 (0.52) AURKA
SCHEMBL4148021 0.65 GPR88 (0.53) ROCK2ROCK1MAPK1GPR88CYP3A4
SCHEMBL22229267 0.65 GPR88 (0.53) ROCK2ROCK1MAPK1GPR88CYP3A4
SCHEMBL12666562 0.65 GPR88 (0.52) ROCK2ROCK1MAPK1GPR88CYP3A4
SCHEMBL13852060 0.61 GPR88 (0.52) ROCK2ROCK1MAPK1GPR88CYP3A4
SCHEMBL28548614 0.61 GPR88 (0.52) ROCK2ROCK1MAPK1GPR88CYP3A4
SCHEMBL13626234 0.60 GAA (0.57) ROCK2ROCK1AURKAGPR88MEN1

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-8541429-B2 Pyrazolo quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
US-20090124605-A1 Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-05-14 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-20090124605-A1 Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors MAP3K5, MAP3K9, MAP4K2 ROCK2 745/4885ROCK1 613/4885MAPK1 77/4885

“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.