SCHEMBL13316017

SCHEMBL13316017

O=C1CN(c2nc(-c3ccccc3)cs2)C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.62
▸ CDK5R1 Q15078 3/20 0.62
▸ AR P10275 4/20 0.54
▸ MEN1 O00255 8/20 0.52
▸ KMT2A Q03164 8/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ THRB P10828 2/20 0.52
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51

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
SCHEMBL5238052 0.77 CDK5 (1.00) CDK5CDK5R1ARMEN1KMT2A
SCHEMBL5234501 0.75 CDK5 (0.79) CDK5CDK5R1ARMEN1KMT2A
SCHEMBL5237540 0.74 CDK5 (1.00) CDK5CDK5R1MEN1KMT2ARAB9A
SCHEMBL5239792 0.72 CDK5 (0.74) CDK5CDK5R1ARMEN1KMT2A
SCHEMBL18674670 0.72 AR (0.84) ARMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7092062 0.71 AR (0.70) ARMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5235620 0.71 CDK5 (0.69) CDK5CDK5R1ARMEN1KMT2A
SCHEMBL5236891 0.71 CDK5 (0.69) CDK5CDK5R1ARMEN1KMT2A
SCHEMBL746783 0.70 CRBN (0.66) MEN1KMT2ARAB9ANPC1ALOX15
SCHEMBL5238093 0.70 CDK5 (0.71) CDK5CDK5R1ARMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531566-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2009-05-12 — — US disclosed
US-20090105230-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2009-04-23 — — US disclosed
US-20090069310-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2009-03-12 — — US disclosed
US-20080064688-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-03-13 — — US disclosed
US-7342037-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-11 — — US disclosed
US-20080045706-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-02-21 — — US disclosed
US-20080045531-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-02-21 — — US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 — — US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 — — US 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 (6 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-20080064688-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF CDK5 569/4885CDK5R1 747/4885AR 3828/4885
US-20080045706-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF CDK5 569/4885CDK5R1 747/4885AR 3828/4885
US-20090105230-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF CDK5 569/4885CDK5R1 747/4885AR 3828/4885
US-20090069310-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF CDK5 569/4885CDK5R1 747/4885AR 3828/4885
US-20080045531-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF CDK5 569/4885CDK5R1 747/4885AR 3828/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 CDK5 221/4885CDK5R1 344/4885AR 2846/4885

“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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