SCHEMBL437854

SCHEMBL437854

Cn1cncc1C(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.39
▸ DYRK1A Q13627 11/20 0.39
▸ CHEK2 O96017 1/20 0.37
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ PORCN Q9H237 1/20 0.37
▸ HDAC2 Q92769 1/20 0.36
▸ WNT1 P04628 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DEGS1 O15121 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL13940995 0.90 ABL1 (0.42) GSK3BDYRK1ACHEK2PORCNHDAC2
SCHEMBL2815050 0.80 ABCB1 (0.42) CHEK2HDAC2SMN1; SMN2ABCB1ABCC1
SCHEMBL440417 0.79 NAMPT (0.43) CHEK2HDAC2SMN1; SMN2DEGS1
SCHEMBL437850 0.78 NPC1 (0.43) CHEK2HDAC2SMN1; SMN2ABCB1ABCC1
SCHEMBL2813073 0.78 IL2 (0.47) DYRK1AHDAC2SMN1; SMN2
SCHEMBL451402 0.77 NTRK1 (0.38) CHEK2PORCNHDAC2DEGS1
SCHEMBL5531238 0.77 POLB (0.45) CHEK2HDAC2DEGS1ABCB1ABCC1
SCHEMBL437873 0.77 SMN1; SMN2 (0.55) HDAC2SMN1; SMN2DEGS1ABCB1
SCHEMBL438987 0.76 L3MBTL1 (0.45) SMN1; SMN2DEGS1
SCHEMBL438956 0.76 STIM1 (0.50) SMN1; SMN2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 — — US claimed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 — — EP claimed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 — — WO claimed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 — — US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 — — US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 — — US disclosed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 — — EP disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 — — 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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP GSK3B 2480/4885DYRK1A 3037/4885CHEK2 4360/4885

“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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