SCHEMBL14936969

SCHEMBL14936969

CNC(=O)c1cccc(-c2cc(=O)[nH]c(=S)n2CCOC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 2/20 0.41
PKM P14618 2/20 0.41
MPO P05164 2/20 0.41
TAF1 P21675 1/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
USP2 O75604 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL14936973 0.83 MPO (0.44) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL14937026 0.82 MPO (0.44) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL14936734 0.81 MPO (0.53) ALDH1A1KMT2AMEN1RXFP1RAB9A
SCHEMBL14936875 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL14937236 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL14936715 0.79 MPO (0.42) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL14936303 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL14936834 0.77 MPO (0.46) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL14936395 0.77 TRPC5 (0.45) ALDH1A1RAB9APOLBPKMMPO
SCHEMBL14936797 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD

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 ALDH1A1 280/4885KMT2A 3966/4885MEN1 4832/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885KMT2A 3966/4885MEN1 4832/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885KMT2A 3966/4885MEN1 4832/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 ALDH1A1 280/4885KMT2A 3966/4885MEN1 4832/4885

“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.