SCHEMBL14936005

SCHEMBL14936005

COCCn1c(-c2ccccn2)cc(=O)nc1SC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK10 P53779 1/20 0.38
APLNR P35414 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
NTRK1 P04629 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL14946922 0.84 CDK9 (0.42) LMNATDP1ALDH1A1APLNRPOLB
SCHEMBL14936037 0.73 ALDH1A1 (0.42) MAPK14LMNATDP1L3MBTL1ALDH1A1
SCHEMBL14936217 0.73 PKM (0.53) ALDH1A1APLNRNPSR1POLBPKM
SCHEMBL569213 0.71 NPSR1 (0.59) MAPK14LMNATDP1L3MBTL1ALDH1A1
SCHEMBL20181394 0.68 APLNR (0.49) LMNATDP1L3MBTL1ALDH1A1APLNR
SCHEMBL24166133 0.67 ALDH1A1 (0.43) LMNATDP1L3MBTL1ALDH1A1POLB
SCHEMBL30656844 0.67 ALDH1A1 (0.43) LMNATDP1L3MBTL1ALDH1A1POLB
SCHEMBL24129458 0.66 HPGD (0.61) LMNAL3MBTL1ALDH1A1POLBHSD17B10
SCHEMBL27970359 0.65 ALDH1A1 (0.42) MAPK14LMNATDP1L3MBTL1ALDH1A1
SCHEMBL14936858 0.65 P2RY2 (0.39) MAPK14LMNATDP1L3MBTL1ALDH1A1

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 20 patents. 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-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-8841314-B2 2-Thiopyrimidinones PFIZER INC. (US) 2014-09-23 US disclosed
EP-2776405-A1 2-THIOPYRIMIDINONES Pfizer Inc (US) 2014-09-17 EP 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
CN-103917529-A 2-thiopyrimidinones PFIZER 2014-07-09 CN 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
WO-2013068875-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2013-05-16 WO 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
WO-2013068875-A1 2-THIOPYRIMIDINONES PFIZER INC. (US) 2013-05-16 WO 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 MAPK14 3235/4885LMNA 3854/4885TDP1 431/4885
US-20160304469-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MAPK14 3235/4885LMNA 3854/4885TDP1 431/4885
US-20140288049-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MAPK14 3235/4885LMNA 3854/4885TDP1 431/4885
US-20130296351-A1 2-Thiopyrimidinones MPO, SERPINB1, TNNI3 MAPK14 3235/4885LMNA 3854/4885TDP1 431/4885

“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.