SCHEMBL3449476

SCHEMBL3449476

O=C(O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2NCCCc2nc3ccccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 4/20 0.46
STK17B O94768 3/20 0.46
CSNK2A1 P68400 7/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
AURKA O14965 2/20 0.39
SOS1 Q07889 2/20 0.39
JAK2 O60674 1/20 0.39
AURKB Q96GD4 1/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
ALK Q9UM73 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3451281 0.96 STK17A (0.43) STK17ASTK17BCSNK2A1AURKASOS1
SCHEMBL13348321 0.91 POLB (0.40) STK17ASTK17BPOLBHTTAURKA
SCHEMBL3449403 0.91 CSNK2A1 (0.44) STK17ASTK17BCSNK2A1AURKASOS1
Hydrochloric Acid SCHEMBL3447887 0.91 CSNK2A1 (0.44) STK17ASTK17BCSNK2A1AURKASOS1
SCHEMBL3451109 0.91 STK17A (0.44) STK17ASTK17BPOLBHTTALK
SCHEMBL3447733 0.86 MAPT (0.44) STK17ASTK17BHTTSOS1ALK
SCHEMBL3449743 0.84 STK17A (0.43) STK17ASTK17BPOLBHTTSOS1
SCHEMBL3449554 0.84 STK17A (0.43) STK17ASTK17BPOLBHTTSOS1
SCHEMBL13348094 0.82 MAPT (0.43) POLBHTTAURKAKDM4ELMNA
SCHEMBL13311030 0.82 MAPT (0.51) STK17ASTK17BCSNK2A1HTTSOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD STK17A 1984/4885STK17B 2457/4885CSNK2A1 1858/4885

“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.