SCHEMBL3376119

SCHEMBL3376119

CN(C)CCCNc1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cncc(C(=O)NN)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 12/20 0.52
STK17B O94768 8/20 0.52
JAK1 P23458 3/20 0.46
BLK P51451 3/20 0.46
JAK3 P52333 3/20 0.46
JAK2 O60674 2/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
TBK1 Q9UHD2 2/20 0.46
CSNK2A1 P68400 1/20 0.45
ITK Q08881 1/20 0.43
KDR P35968 2/20 0.43
CCNT1 O60563 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CHEK1 O14757 1/20 0.41

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
SCHEMBL3377446 0.92 CSNK2A1 (0.52) STK17ASTK17BJAK1BLKJAK3
SCHEMBL3446939 0.89 STK17A (0.46) STK17ASTK17BJAK1BLKJAK3
SCHEMBL3345683 0.88 STK17A (0.50) STK17ASTK17BJAK1BLKJAK3
SCHEMBL3345722 0.88 STK17A (0.51) STK17ASTK17BJAK1BLKJAK3
SCHEMBL3345740 0.88 STK17A (0.51) STK17ASTK17BJAK1BLKJAK3
SCHEMBL3345731 0.87 STK17A (0.50) STK17ASTK17BJAK1BLKJAK3
SCHEMBL3447250 0.87 CSNK2A1 (0.57) STK17ASTK17BJAK1BLKJAK3
SCHEMBL13348089 0.87 STK17A (0.57) STK17ASTK17BCSNK2A1KDR
SCHEMBL13310796 0.86 STK17A (0.56) STK17ASTK17BJAK1BLKJAK3
SCHEMBL13310813 0.86 STK17A (0.57) STK17ASTK17BCSNK2A1KDRCHEK1

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 5 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
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 STK17A 1984/4885STK17B 2457/4885JAK1 2067/4885

“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.