SCHEMBL2446751

SCHEMBL2446751

CN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(Nc3ccccc3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
BRD4 O60885 3/20 0.47
CREBBP Q92793 2/20 0.47
ROCK2 O75116 5/20 0.43
IMPDH2 P12268 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 3/20 0.40
JAK3 P52333 1/20 0.40
PRKCQ Q04759 1/20 0.39
ALK Q9UM73 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2447413 0.82 PRKCQ (0.45) TRPV1BRD4CREBBPROCK2SYK
SCHEMBL2449021 0.81 TNK2 (0.49) POLBKMT2APRKCQALKKDM4E
SCHEMBL2848425 0.81 TNK2 (0.49) POLBKMT2APRKCQALKKDM4E
SCHEMBL2449020 0.81 TNK2 (0.49) POLBKMT2APRKCQALKKDM4E
SCHEMBL2449307 0.81 TRPV1 (0.36) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2450338 0.80 SYK (0.41) TRPV1BRD4CREBBPIMPDH2POLB
SCHEMBL2449611 0.80 CREBBP (0.39) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2446687 0.78 CREBBP (0.57) TRPV1BRD4CREBBPROCK2IMPDH2
SCHEMBL2449465 0.77 CREBBP (0.55) TRPV1BRD4CREBBPROCK2JAK3
SCHEMBL2449206 0.76 CREBBP (0.47) TRPV1BRD4CREBBPROCK2IMPDH2

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 TRPV1 3250/4885BRD4 1537/4885CREBBP 646/4885

“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.