SCHEMBL3616845

SCHEMBL3616845

CN1CCN(c2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.46
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
PLK4 O00444 2/20 0.46
CHEK1 O14757 2/20 0.46
AURKA O14965 2/20 0.46
PDPK1 O15530 2/20 0.46
DAPK3 O43293 2/20 0.46
JAK2 O60674 2/20 0.46
ABL1 P00519 2/20 0.46
PRKCG P05129 2/20 0.46
INSR P06213 2/20 0.46
LCK P06239 2/20 0.46
CSF1R P07333 2/20 0.46
FGFR1 P11362 2/20 0.46
FLT1 P17948 2/20 0.46
RPS6KB1 P23443 2/20 0.46
MARK3 P27448 2/20 0.46
KDR P35968 2/20 0.46
FLT3 P36888 2/20 0.46

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
SCHEMBL3616848 1.00 MAPKAPK2 (0.46) MAPKAPK2ROCK2ROCK1PLK4CHEK1
Hydrochloric Acid SCHEMBL3621082 0.99 MAPKAPK2 (0.45) MAPKAPK2ROCK2ROCK1PLK4CHEK1
Hydrochloric Acid SCHEMBL3621077 0.99 MAPKAPK2 (0.45) MAPKAPK2ROCK2ROCK1PLK4CHEK1
SCHEMBL3616073 0.89 MAPKAPK2 (0.48) MAPKAPK2ROCK2ROCK1PLK4CHEK1
SCHEMBL3616075 0.89 MAPKAPK2 (0.48) MAPKAPK2ROCK2ROCK1PLK4CHEK1
Hydrochloric Acid SCHEMBL3617686 0.88 MAPKAPK2 (0.48) MAPKAPK2ROCK2ROCK1PLK4CHEK1
Hydrochloric Acid SCHEMBL3617689 0.88 MAPKAPK2 (0.48) MAPKAPK2ROCK2ROCK1PLK4CHEK1
SCHEMBL3610339 0.84 KIT (0.46) MAPKAPK2ROCK2ROCK1PLK4CHEK1
SCHEMBL3610342 0.84 KIT (0.46) MAPKAPK2ROCK2ROCK1PLK4CHEK1
SCHEMBL3617910 0.82 MAPKAPK2 (0.50) MAPKAPK2ROCK2ROCK1PLK4CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
CN-101516874-A Pyrrole derivatives for the treatment of cytokine mediated diseases NOVARTIS AG (CH) 2009-08-26 CN disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 MAPKAPK2 4395/4885ROCK2 3665/4885ROCK1 2600/4885

“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.