SCHEMBL14936949

SCHEMBL14936949

COCCn1c(-c2cccc3ncccc23)cc(=O)[nH]c1=S

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ MPO P05164 4/20 0.44
▸ ACVR1 Q04771 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14936631 0.86 PKM (0.53) PKMPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL14936638 0.84 PKM (0.51) PKMPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL14936243 0.84 MPO (0.47) PKMPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL14936895 0.82 POLB (0.63) PKMPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL14936133 0.80 MPO (0.43) PKMPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL14936211 0.80 MPO (0.51) MPOACVR1MAPTHTT
SCHEMBL14936039 0.79 MPO (0.45) PKMPOLBCYP1A2CYP2C19MPO
SCHEMBL14936217 0.78 PKM (0.53) PKMPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL14935991 0.78 MPO (0.45) PKMPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL14937171 0.78 MPO (0.50) PKMPOLBCYP1A2CYP2C19MPO

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 24 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-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 PKM 1375/4885POLB 867/4885CYP1A2 200/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 PKM 1375/4885POLB 867/4885CYP1A2 200/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 PKM 1375/4885POLB 867/4885CYP1A2 200/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 PKM 1375/4885POLB 867/4885CYP1A2 200/4885

“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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