SCHEMBL14936631

SCHEMBL14936631

COCCn1c(-c2cccnc2OC)cc(=O)[nH]c1=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ MPO P05164 7/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ BTK Q06187 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TPO P07202 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ IDH1 O75874 1/20 0.37

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
SCHEMBL14936949 0.86 PKM (0.55) PKMPOLBMPOCYP1A2CYP2C9
SCHEMBL14936638 0.85 PKM (0.51) PKMPOLBMPOCYP1A2CYP2C9
SCHEMBL14937315 0.83 MPO (0.47) PKMPOLBMPOCYP1A2CYP2C9
SCHEMBL14937171 0.82 MPO (0.50) PKMPOLBMPOCYP1A2CYP2C19
SCHEMBL14936341 0.82 PKM (0.53) PKMPOLBMPOCYP1A2CYP2C9
SCHEMBL14935960 0.82 MPO (0.51) PKMPOLBMPOCYP1A2CYP2C9
SCHEMBL14936085 0.82 MPO (0.51) PKMPOLBMPOCYP1A2CYP2C19
SCHEMBL14935900 0.81 MPO (0.60) PKMPOLBMPOALDH1A1HSD17B10
SCHEMBL14936292 0.81 MPO (0.46) PKMPOLBMPOCYP1A2CYP2C9
SCHEMBL14936895 0.81 POLB (0.63) PKMPOLBMPOCYP1A2CYP2C9

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-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-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-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
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 PKM 1375/4885POLB 867/4885MPO 1/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 PKM 1375/4885POLB 867/4885MPO 1/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 PKM 1375/4885POLB 867/4885MPO 1/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 PKM 1375/4885POLB 867/4885MPO 1/4885

“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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