SCHEMBL14936822

SCHEMBL14936822

COc1cccc(-c2cc(=O)[nH]c(=S)n2CC(N)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.68
▸ TPO P07202 1/20 0.58
▸ BACE1 P56817 2/20 0.44
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ GAA P10253 3/20 0.40
▸ FPR1 P21462 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CDC7 O00311 1/20 0.39

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
SCHEMBL14936939 0.88 MPO (0.67) MPOTPOGAAKDM4EMAPK1
SCHEMBL14936992 0.87 MPO (0.72) MPOTPOBACE1GAAMAPK1
SCHEMBL14947089 0.84 MPO (0.67) MPOTPOMTNR1AMTNR1BGAA
SCHEMBL14937144 0.84 MPO (0.67) MPOTPOMTNR1AMTNR1BGAA
SCHEMBL14936855 0.84 MPO (0.71) MPOTPOGAAKDM4EMAPK1
Hydrochloric Acid SCHEMBL14936202 0.83 MPO (0.65) MPOTPOMTNR1AMTNR1BGAA
SCHEMBL14947090 0.82 MPO (0.58) MPOTPOMTNR1AMTNR1BGAA
SCHEMBL14937137 0.81 MPO (0.67) MPOTPOGAAMAPK1ALDH1A1
SCHEMBL14936734 0.81 MPO (0.53) MPOMTNR1AMTNR1BGAARAB9A
SCHEMBL14937052 0.81 MPO (1.00) MPOTPOGAARAB9AKDM4E

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 22 patents — showing the first 20. 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-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-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
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 32/4885BACE1 857/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885BACE1 857/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885BACE1 857/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MPO 1/4885TPO 32/4885BACE1 857/4885

“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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