SCHEMBL2446870

SCHEMBL2446870

CCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
TNK2 Q07912 7/20 0.35
CHEK1 O14757 1/20 0.35
JAK2 O60674 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
ROS1 P08922 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
TYK2 P29597 1/20 0.35
ALK Q9UM73 1/20 0.35
PRKCQ Q04759 1/20 0.35
SYK P43405 1/20 0.33
KCNH3 Q9ULD8 2/20 0.33
JAK3 P52333 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL2444124 0.91 BRD4 (0.35) ROCK2BRD4CREBBPTRPV1TNK2
SCHEMBL2450612 0.89 CREBBP (0.41) BRD4CREBBPTNK2SYK
SCHEMBL2450329 0.86 BRD4 (0.32) BRD4CREBBPTRPV1TNK2SYK
SCHEMBL8905475 0.86 GPR119 (0.44) BRD4CREBBP
SCHEMBL2447892 0.85 HTR2A (0.35) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2450333 0.85 TNK2 (0.38) BRD4CREBBPTNK2CHEK1JAK2
SCHEMBL2450336 0.85 TNK2 (0.38) BRD4CREBBPTNK2CHEK1JAK2
SCHEMBL2449021 0.83 TNK2 (0.49) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2449020 0.83 TNK2 (0.49) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2848425 0.83 TNK2 (0.49) TNK2CHEK1JAK2ABL1LCK

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 12 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
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 445/4885BRD4 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.