SCHEMBL2448058

SCHEMBL2448058

Cc1ccc(Cc2nc(Nc3ccc(-n4ccnc4C)cc3)nc3c2CN(C(=O)O)CC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.37
ROCK2 O75116 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
PORCN Q9H237 1/20 0.35
SYK P43405 1/20 0.35
NR3C2 P08235 4/20 0.35
KDR P35968 2/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 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
SCHEMBL2483361 0.94 ROCK2 (0.40) GPBAR1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL2447045 0.93 CREBBP (0.41) GPBAR1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL8905497 0.89 MAPT (0.46) GPBAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2446341 0.87 ROCK2 (0.40) ROCK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2477751 0.87 MAPT (0.35) ROCK2SYKKDRTUBB4ATUBB
SCHEMBL2483114 0.86 KDR (0.40) ROCK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2451543 0.86 SYK (0.41) ROCK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2448106 0.86 NR3C2 (0.38) ROCK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2453366 0.85 SYK (0.36) GPBAR1ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL2839484 0.84 MAPT (0.46) ROCK2CYP3A4CYP2D6PORCNJAK2

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 GPBAR1 3397/4885ROCK2 445/4885CYP3A4 4727/4885

“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.