SCHEMBL3449308

SCHEMBL3449308

COCC(COC)NC(=O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nc(C(F)(F)F)cc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
EGFR P00533 5/20 0.35
PTK2 Q05397 2/20 0.35
CTSA P10619 2/20 0.34
STK17A Q9UEE5 1/20 0.34
BRAF P15056 1/20 0.34
CRACR2A Q9BSW2 1/20 0.33
ITK Q08881 1/20 0.33
PDE4B Q07343 1/20 0.33
JAK1 P23458 1/20 0.33
BLK P51451 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL3448149 0.90 BRAF (0.43) CSNK2A1ABL1BCRBRAFJAK1
SCHEMBL3450030 0.89 ABL1 (0.38) CSNK2A1ABL1BCREGFRPTK2
SCHEMBL3450175 0.87 ABL1 (0.36) CSNK2A1ABL1BCREGFRPTK2
SCHEMBL3448975 0.86 CSNK2A1 (0.39) CSNK2A1EGFRSTK17A
SCHEMBL3451467 0.86 JAK1 (0.39) ABL1BCREGFRSTK17ABRAF
SCHEMBL3448702 0.86 SYK (0.44) CSNK2A1ABL1BCREGFRSTK17A
SCHEMBL3449000 0.86 SYK (0.39) EGFRSTK17ACRACR2AJAK3
SCHEMBL3449228 0.85 SYK (0.36) ABL1BCREGFRPTK2STK17A
SCHEMBL3451426 0.84 JAK1 (0.36) CSNK2A1ABL1BCREGFRSTK17A
SCHEMBL13312538 0.83 ACVR1B (0.37) EGFRPTK2STK17ABRAFJAK1

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 1858/4885ABL1 370/4885BCR 3224/4885

“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.