SCHEMBL2443923

SCHEMBL2443923

c1ncc(-c2ccc(Nc3nc4c(c(NC[C@H]5CCCO5)n3)CNCC4)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 13/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 3/20 0.45
RECQL P46063 3/20 0.45
MAPT P10636 2/20 0.45
BLM P54132 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
KCNH3 Q9ULD8 2/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
CHEK1 O14757 1/20 0.42
JAK2 O60674 1/20 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
SCHEMBL2443934 1.00 TNK2 (0.48) TNK2ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL2847818 1.00 TNK2 (0.48) TNK2ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL2450544 0.88 SYK (0.42) TNK2KCNH3JAK2SYK
SCHEMBL2449020 0.84 TNK2 (0.49) TNK2ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL2848425 0.84 TNK2 (0.49) TNK2ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL2449021 0.84 TNK2 (0.49) TNK2ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL8215262 0.83 TNK2 (0.45) TNK2ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL2447892 0.82 HTR2A (0.35) TNK2ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL2447215 0.81 VCP (0.47)
SCHEMBL2448252 0.81 TNK2 (0.43) TNK2ALDH1A1HTTSMN1; SMN2KDM4E

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 TNK2 1455/4885ALDH1A1 4124/4885HTT 114/4885

“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.