SCHEMBL3464427

SCHEMBL3464427

CCS(=O)(=O)c1cncc([CH]C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
ROCK2 O75116 1/20 0.40
CHEK2 O96017 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
LIMK1 P53667 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CDK5 Q00535 1/20 0.40
ROCK1 Q13464 1/20 0.40
DYRK1A Q13627 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
SGK2 Q9HBY8 1/20 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
SCHEMBL568457 0.83 CYP11B2 (0.40) AURKAROCK2CHEK2PIM1CDK2
SCHEMBL568488 0.83 PLK4 (0.38) PLK4AURKAROCK2CHEK2PIM1
SCHEMBL3465097 0.81 APLNR (0.55) NAMPTAPLNRRAF1PKMYT1GAA
SCHEMBL13358892 0.81 KDR (0.36) PLK4AURKAROCK2CHEK2PIM1
SCHEMBL30107071 0.80 PSIP1 (0.36) PLK4AURKAROCK2CHEK2PIM1
SCHEMBL28790641 0.80 PSIP1 (0.36) PLK4AURKAROCK2CHEK2PIM1
SCHEMBL30107040 0.77 ALDH1A1 (0.35) PLK4AURKAROCK2CHEK2PIM1
SCHEMBL3121621 0.77 FLT4 (0.44) PLK4AURKAROCK2CHEK2PIM1
SCHEMBL23094111 0.72 FLT4 (0.38) PLK4AURKAROCK2CHEK2PIM1
SCHEMBL31706200 0.71 HCAR2 (0.52) RAF1PSIP1ALDH1A1MEN1KMT2A

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
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 PLK4 4810/4885AURKA 3608/4885ROCK2 3907/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 PLK4 2243/4885AURKA 4155/4885ROCK2 4181/4885

“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.