SCHEMBL14936895

SCHEMBL14936895

COCCn1c(-c2c[nH]c3ncccc23)cc(=O)[nH]c1=S

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CDC7 O00311 9/20 0.53
▸ DBF4 Q9UBU7 6/20 0.53
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ PRKACA P17612 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ HIPK2 Q9H2X6 2/20 0.44
▸ IRAK4 Q9NWZ3 2/20 0.44
▸ CDK7 P50613 1/20 0.44

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
SCHEMBL14937127 0.83 RAB9A (0.49) POLBPKMCYP1A2CYP2C9CYP2C19
SCHEMBL14936949 0.82 PKM (0.55) POLBPKMCYP1A2CYP2C9CYP2C19
SCHEMBL14936631 0.81 PKM (0.53) POLBPKMCYP1A2CYP2C9CYP2C19
SCHEMBL14936638 0.79 PKM (0.51) POLBPKMCYP1A2CYP2C9CYP2C19
SCHEMBL14936217 0.77 PKM (0.53) POLBPKMCYP1A2CYP2C9CYP2C19
SCHEMBL14936341 0.77 PKM (0.53) POLBPKMCYP1A2CYP2C9CYP2C19
SCHEMBL14936243 0.76 MPO (0.47) POLBPKMCYP1A2CYP2C9CYP2C19
SCHEMBL14936297 0.76 PKM (0.52) POLBPKMCYP1A2CYP2C9CYP2C19
SCHEMBL14936972 0.75 RAB9A (0.50) POLBPKMCYP1A2CYP2C9CYP2C19
SCHEMBL14937171 0.74 MPO (0.50) POLBPKMCYP1A2CYP2C19ALDH1A1

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