SCHEMBL2848425

SCHEMBL2848425

CN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NC[C@@H]3CCCO3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 13/20 0.49
CHEK1 O14757 1/20 0.49
JAK2 O60674 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
ROS1 P08922 1/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
TYK2 P29597 1/20 0.49
ALK Q9UM73 1/20 0.49
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.42
PRKCQ Q04759 1/20 0.42
KCNH3 Q9ULD8 2/20 0.42
MAPK1 P28482 2/20 0.42
RECQL P46063 2/20 0.42
BLM P54132 2/20 0.42

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
SCHEMBL2449020 1.00 TNK2 (0.49) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2449021 1.00 TNK2 (0.49) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2448252 0.89 TNK2 (0.43) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2448242 0.89 TNK2 (0.43) TNK2CHEK1JAK2ABL1LCK
SCHEMBL8261929 0.88 MAPK1 (0.43) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2451706 0.88 CREBBP (0.53) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2847162 0.88 CREBBP (0.53) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2447413 0.88 PRKCQ (0.45) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2447109 0.88 TNK2 (0.46) TNK2CHEK1JAK2ABL1LCK
SCHEMBL2451712 0.87 TNK2 (0.42) 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 9 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
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US 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

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 TNK2 1455/4885CHEK1 395/4885JAK2 3639/4885

“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.