SCHEMBL14947046

SCHEMBL14947046

COc1ccc(C#N)cc1-c1cc(=O)[nH]c(=S)n1CCO

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 8/20 0.64
▸ TPO P07202 1/20 0.53
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BRD9 Q9H8M2 1/20 0.40
▸ CECR2 Q9BXF3 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL14938335 0.89 MPO (0.52) MPOTPOGAAMAPK1BRD9
SCHEMBL14936591 0.85 MPO (0.74) MPOTPOGAAMAPK1BRD9
SCHEMBL14936977 0.84 MPO (0.69) MPOTPOGAAMAPK1PKM
SCHEMBL14937161 0.84 MPO (0.83) MPOTPOGAAMAPK1PKM
SCHEMBL14937321 0.84 MPO (0.73) MPOTPOGAAMAPK1PKM
SCHEMBL14936270 0.84 MPO (0.67) MPOTPOGAAMAPK1PKM
SCHEMBL14936502 0.82 MPO (0.75) MPOTPOGAAMAPK1PKM
SCHEMBL14936165 0.82 MPO (0.74) MPOTPOGAAMAPK1PKM
SCHEMBL14938348 0.81 MPO (0.59) MPOTPOGAAMAPK1PKM
SCHEMBL14937198 0.80 MPO (0.65) MPOTPOGAAMAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873673-B2 2-thiopyrimidinones PFIZER INC. (US) 2018-01-23 — — US disclosed
US-9873673-B2 2-thiopyrimidinones PFIZER INC. (US) 2018-01-23 — — US disclosed
US-9873673-B2 2-thiopyrimidinones PFIZER INC. (US) 2018-01-23 — — US disclosed
US-20160304469-A1 2-Thiopyrimidinones PFIZER INC. (US) 2016-10-20 — — US disclosed
US-20160304469-A1 2-Thiopyrimidinones PFIZER INC. (US) 2016-10-20 — — US disclosed
US-20160304469-A1 2-Thiopyrimidinones PFIZER INC. (US) 2016-10-20 — — US disclosed
US-9399626-B2 2-thiopyrimidinones PFIZER INC. (US) 2016-07-26 — — US disclosed
US-9399626-B2 2-thiopyrimidinones PFIZER INC. (US) 2016-07-26 — — US disclosed
US-20140288049-A1 2-Thiopyrimidinones PFIZER (US) 2014-09-25 — — US disclosed
US-20140288049-A1 2-Thiopyrimidinones PFIZER (US) 2014-09-25 — — US disclosed
US-8841314-B2 2-Thiopyrimidinones PFIZER INC. (US) 2014-09-23 — — US disclosed
US-8841314-B2 2-Thiopyrimidinones PFIZER INC. (US) 2014-09-23 — — US disclosed
US-8835449-B2 2-thiopyrimidinones PFIZER INC. (US) 2014-09-16 — — US disclosed
US-8835449-B2 2-thiopyrimidinones PFIZER INC. (US) 2014-09-16 — — US disclosed
US-20130296351-A1 2-Thiopyrimidinones PFIZER INC. 2013-11-07 — — US disclosed
US-20130296351-A1 2-Thiopyrimidinones PFIZER INC. 2013-11-07 — — US disclosed
US-20130123230-A1 2-Thiopyrimidinones PFIZER INC. 2013-05-16 — — US disclosed
US-20130123230-A1 2-Thiopyrimidinones PFIZER INC. 2013-05-16 — — 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 (4 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-20130123230-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GAA 162/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GAA 162/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GAA 162/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GAA 162/4885

“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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