SCHEMBL3449403

SCHEMBL3449403

O=C(O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2NCc2nc3ccccc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 8/20 0.44
SOS1 Q07889 3/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
AURKA O14965 2/20 0.41
JAK2 O60674 1/20 0.41
AURKB Q96GD4 1/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
STK17A Q9UEE5 2/20 0.40
STK17B O94768 1/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
ALK Q9UM73 1/20 0.40
MELK Q14680 1/20 0.40

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
Hydrochloric Acid SCHEMBL3447887 0.99 CSNK2A1 (0.44) CSNK2A1SOS1CYP1A2TSHRAURKA
SCHEMBL3451281 0.93 STK17A (0.43) CSNK2A1SOS1AURKAJAK2AURKB
SCHEMBL3449476 0.91 STK17A (0.46) CSNK2A1SOS1AURKAJAK2AURKB
SCHEMBL13311030 0.90 MAPT (0.51) CSNK2A1SOS1CYP1A2STK17ASTK17B
Hydrochloric Acid SCHEMBL3376579 0.89 MAPT (0.51) CSNK2A1SOS1CYP1A2STK17ASTK17B
SCHEMBL13311073 0.83 CSNK2A1 (0.59) CSNK2A1AURKAJAK2AURKBGSK3A
SCHEMBL3447733 0.83 MAPT (0.44) SOS1CYP1A2STK17ASTK17BALK
SCHEMBL13311078 0.83 CSNK2A1 (0.61) CSNK2A1AURKAJAK2AURKBGSK3A
SCHEMBL13311087 0.82 CSNK2A1 (0.51) CSNK2A1AURKAJAK2AURKBGSK3A
SCHEMBL13348321 0.82 POLB (0.40) AURKAGSK3AGSK3BSTK17ASTK17B

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-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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD CSNK2A1 1858/4885SOS1 2048/4885CYP1A2 42/4885

“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.