SCHEMBL3450773

SCHEMBL3450773

Cc1nccn1-c1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cncc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 9/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
EGFR P00533 1/20 0.39
STK17A Q9UEE5 1/20 0.39
AURKA O14965 2/20 0.38
JAK2 O60674 1/20 0.37
AURKB Q96GD4 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
SCHEMBL3448560 0.90 FGFR1 (0.42) CSNK2A1L3MBTL1ABL1BCREGFR
SCHEMBL3450301 0.87 MAPK1 (0.43) ABL1BCREGFRSTK17A
SCHEMBL3449010 0.85 CSNK2A1 (0.45) CSNK2A1CSNK2A2CSNK2BXDHSLC22A12
SCHEMBL3449152 0.85 XDH (0.43) CSNK2A1CSNK2A2CSNK2BXDHSLC22A12
SCHEMBL3377106 0.84 XDH (0.42) CSNK2A1CSNK2A2CSNK2BXDHSLC22A12
SCHEMBL3449473 0.84 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BXDHSLC22A12
SCHEMBL3434606 0.84 KCNN3 (0.46) CSNK2A1CSNK2A2CSNK2BXDHSLC22A12
SCHEMBL3447604 0.84 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BXDHSLC22A12
SCHEMBL13311591 0.84 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BXDHSLC22A12
SCHEMBL3450305 0.83 MAPK1 (0.48) EGFRSTK17AJAK2

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 1858/4885CSNK2A2 1967/4885CSNK2B 1624/4885

“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.