SCHEMBL3449014

SCHEMBL3449014

CCOC(=O)c1cncc(-c2cnc(Nc3cccc(S(C)(=O)=O)c3)nc2S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
RIPK2 O43353 5/20 0.43
ACVR1 Q04771 2/20 0.43
JAK3 P52333 2/20 0.42
JAK1 P23458 1/20 0.42
FGFR1 P11362 4/20 0.42
PTK2 Q05397 2/20 0.41
CDK9 P50750 2/20 0.41
CDK2 P24941 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNE1 P24864 1/20 0.41
AURKA O14965 3/20 0.41
AURKB Q96GD4 3/20 0.41
MAP4K4 O95819 2/20 0.41
ABL1 P00519 2/20 0.41
LCK P06239 2/20 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
SCHEMBL3344573 0.87 RIPK2 (0.47) SYKRIPK2ACVR1JAK3JAK1
SCHEMBL3342145 0.85 CDK2 (0.40) SYKKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL3344565 0.84 FGFR1 (0.41) SYKKDM4ERAB9ANPC1FGFR1
SCHEMBL3449544 0.82 SYK (0.48) SYKRIPK2ACVR1JAK3JAK1
SCHEMBL3449687 0.82 SYK (0.48) SYKKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL3451566 0.79 RIPK2 (0.41) SYKKDM4ERIPK2ACVR1JAK3
SCHEMBL3451567 0.77 EGFR (0.44) SYKRIPK2ACVR1JAK3JAK1
SCHEMBL13311563 0.74 NPC1 (0.45) SYKKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL3451569 0.74 RIPK2 (0.43) SYKRIPK2ACVR1JAK3JAK1
SCHEMBL3449534 0.72 RIPK2 (0.45) SYKRIPK2ACVR1JAK3JAK1

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 SYK 804/4885KDM4E 3882/4885SMN1; SMN2 3328/4885

“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.