SCHEMBL2480448

SCHEMBL2480448

Cc1nccn1-c1ccc(Nc2nc(CCc3cccc(F)c3)c3c(n2)CCN(C(=O)O)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
KDR P35968 1/20 0.39
MAPK1 P28482 1/20 0.38
PTK2 Q05397 1/20 0.37
NTRK1 P04629 3/20 0.37
PDE10A Q9Y233 1/20 0.37
NR3C2 P08235 2/20 0.36
P2RX4 Q99571 2/20 0.35
STAT6 P42226 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PORCN Q9H237 1/20 0.34

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
SCHEMBL2444206 0.94 CREBBP (0.40) ROCK2KDRMAPK1PTK2NTRK1
SCHEMBL8905533 0.90 MAPT (0.44) ROCK2KDRMAPK1PTK2PDE10A
SCHEMBL2451552 0.89 ROCK2 (0.43) ROCK2KDRPTK2NTRK1NR3C2
SCHEMBL2479140 0.88 ROCK2 (0.38) ROCK2PTK2NTRK1P2RX4STAT6
SCHEMBL2483361 0.86 ROCK2 (0.40) ROCK2KDRPDE10ANR3C2CYP3A4
SCHEMBL2447040 0.84 NTRK1 (0.37) ROCK2KDRPTK2NTRK1NR3C2
SCHEMBL2479506 0.83 ROCK2 (0.35) ROCK2KDRPTK2NTRK1NR3C2
SCHEMBL2483114 0.83 KDR (0.40) ROCK2KDRPTK2STAT6CYP3A4
SCHEMBL2448106 0.83 NR3C2 (0.38) ROCK2PTK2PDE10ANR3C2STAT6
SCHEMBL2448058 0.82 GPBAR1 (0.37) ROCK2KDRNR3C2CYP3A4CYP2D6

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-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 ROCK2 445/4885KDR 587/4885MAPK1 959/4885

“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.