SCHEMBL7926561

SCHEMBL7926561

Cc1ccc(Oc2nccs2)cc1-c1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.41
▸ LTA4H P09960 1/20 0.38
▸ CDK8 P49336 3/20 0.35
▸ TLR4 O00206 1/20 0.35
▸ TLR2 O60603 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ P2RX2 Q9UBL9 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ PDGFRB P09619 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
SCHEMBL8236870 0.78 CHEK2 (0.50) ABL1DYRK1ADYRK1BCHEK2
SCHEMBL11910775 0.77 LMNA (0.48) ABL1LTA4HCDK8DYRK1ADYRK1B
SCHEMBL3993525 0.75 TLR4 (0.44) TLR4TLR2ACACBACACAMEN1
SCHEMBL3721681 0.72 TLR4 (0.41) TLR4TLR2ACACBACACAPDE10A
SCHEMBL13838573 0.71 ABL1 (0.39) ABL1LTA4HCDK8PDE10AMEN1
SCHEMBL16681203 0.70 NOS3 (0.52) ABL1PDE10AKDM4EALDH1A1GAA
SCHEMBL11730823 0.70 NR4A1 (0.53) TLR4TLR2ACACBACACAP2RX3
SCHEMBL4504756 0.70 ABL1 (0.68) ABL1
SCHEMBL4495649 0.68 MAP4K4 (0.54) ABL1LTA4H
SCHEMBL30522566 0.68 NOS3 (0.44) ABL1PDE10AKDM4EALDH1A1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-13 — — US disclosed
US-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-13 — — US disclosed
US-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-08-02 — — US disclosed
US-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-08-02 — — US disclosed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 — — US disclosed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 — — US disclosed
WO-2010039238-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 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 (3 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-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCL8, CCR9 ABL1 3975/4885LTA4H 109/4885CDK8 1525/4885
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCL8, CCR9 ABL1 3975/4885LTA4H 109/4885CDK8 1525/4885
US-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCL8, CCR9 ABL1 3975/4885LTA4H 109/4885CDK8 1525/4885

“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.

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