SCHEMBL2451552

SCHEMBL2451552

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
NTRK1 P04629 5/20 0.40
PTK2 Q05397 1/20 0.37
EGFR P00533 3/20 0.37
STAT6 P42226 2/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
P2RX4 Q99571 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
NR3C2 P08235 1/20 0.35
KDR P35968 1/20 0.35
FGFR4 P22455 1/20 0.33
HRH1 P35367 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
SCHEMBL2479140 0.90 ROCK2 (0.38) ROCK2NTRK1PTK2EGFRSTAT6
SCHEMBL2480448 0.89 ROCK2 (0.39) ROCK2NTRK1PTK2STAT6P2RX4
SCHEMBL2444206 0.89 CREBBP (0.40) ROCK2NTRK1PTK2KDR
SCHEMBL2447040 0.87 NTRK1 (0.37) ROCK2NTRK1PTK2EGFRSTAT6
SCHEMBL2479506 0.85 ROCK2 (0.35) ROCK2NTRK1PTK2EGFRSTAT6
SCHEMBL8905533 0.85 MAPT (0.44) ROCK2PTK2TRPV1NR3C2KDR
SCHEMBL2480019 0.84 ROCK2 (0.43) ROCK2EGFRSTAT6TRPV1KDR
SCHEMBL2447174 0.82 ROCK2 (0.43) ROCK2PTK2EGFRKDRFGFR4
SCHEMBL2448042 0.81 ROCK2 (0.38) ROCK2PTK2EGFRSTAT6TRPV1
SCHEMBL2446341 0.81 ROCK2 (0.40) ROCK2EGFRTRPV1KDR

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 13 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 claimed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP claimed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US claimed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO claimed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
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
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US 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
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 445/4885NTRK1 2626/4885PTK2 760/4885

“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.