SCHEMBL14936736

SCHEMBL14936736

COc1ccc(C)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 8/20 0.80
▸ TPO P07202 1/20 0.78
▸ GAA P10253 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 1/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ PDE4B Q07343 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PNP P00491 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 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
SCHEMBL14937077 0.91 MPO (0.80) MPOTPOGAAMAPK1MAPT
SCHEMBL29616404 0.89 MPO (1.00) MPOTPOGAAMAPK1MAPT
SCHEMBL14936647 0.89 MPO (1.00) MPOTPOGAAMAPK1MAPT
SCHEMBL14937082 0.88 MPO (0.78) MPOTPOGAAMAPK1GRIN1
Pf-06282999 SCHEMBL14936135 0.88 MPO (1.00) MPOTPOGAAMAPK1GRIN1
SCHEMBL14936166 0.86 MPO (0.76) MPOTPOGAAMAPK1MAPT
SCHEMBL14937124 0.86 MPO (0.76) MPOTPOGAAMAPK1MAPT
SCHEMBL14936519 0.85 MPO (0.71) MPOTPOGAAMAPK1MAPT
SCHEMBL14936490 0.85 MPO (0.71) MPOTPOGAAMAPK1MAPT
SCHEMBL14936591 0.85 MPO (0.74) MPOTPOGAAMAPK1MAPT

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288049-A1 2-Thiopyrimidinones PFIZER (US) 2014-09-25 — — US claimed
EP-2776405-A1 2-THIOPYRIMIDINONES Pfizer Inc (US) 2014-09-17 — — EP claimed
WO-2013068875-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2013-05-16 — — WO claimed
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-20170275257-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2017-09-28 — — US disclosed
US-20170275257-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2017-09-28 — — US disclosed
US-9771332-B2 2-thiopyrimidinones PFIZER INC. (US) 2017-09-26 — — US disclosed
US-9771332-B2 2-thiopyrimidinones PFIZER INC. (US) 2017-09-26 — — US disclosed
US-20160326121-A1 2-THIOPYRIMIDINONES PFIZER INC. 2016-11-10 — — 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-20130296351-A1 2-Thiopyrimidinones PFIZER INC. 2013-11-07 — — US disclosed
US-20130123230-A1 2-Thiopyrimidinones PFIZER INC. 2013-05-16 — — US disclosed
WO-2013068875-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2013-05-16 — — WO 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 (5 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-20160326121-A1 2-THIOPYRIMIDINONES MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GAA 165/4885
US-20170275257-A1 2-THIOPYRIMIDINONES MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885GAA 165/4885
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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