SCHEMBL4378720

SCHEMBL4378720

N#Cc1c(CBr)cccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
HMGB1 P09429 2/20 0.40
FOLH1 Q04609 2/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
CLCN2 P51788 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.37
NOTUM Q6P988 1/20 0.36
GSK3B P49841 1/20 0.36
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
GRIA4 P48058 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL28805957 0.87 MRGPRX4 (0.49) MRGPRX4HMGB1FOLH1ALDH1A1ALOX15
SCHEMBL16143689 0.85 MRGPRX4 (0.39) MRGPRX4ALDH1A1TSHRGSK3BKDM4E
SCHEMBL13622163 0.85 MRGPRX4 (0.41) MRGPRX4ALDH1A1ALOX15TSHRNOTUM
SCHEMBL120981 0.84 MRGPRX4 (0.52) MRGPRX4HMGB1FOLH1ALDH1A1ALOX15
SCHEMBL31384413 0.83 MRGPRX4 (0.51) MRGPRX4HMGB1FOLH1ALDH1A1ALOX15
SCHEMBL13622164 0.81 ALDH1A1 (0.48) MRGPRX4ALDH1A1HTTTSHRKDM4E
SCHEMBL2809185 0.79 CYP1A2 (0.39) ALDH1A1TSHRGSK3BKDM4ESMN1; SMN2
SCHEMBL27985664 0.77 PRNP (0.46) MRGPRX4HMGB1ALDH1A1ALOX15HTT
SCHEMBL4448226 0.76 ALDH1A1 (0.46) HMGB1FOLH1ALDH1A1ALOX15CLCN2
SCHEMBL445508 0.75 FOLH1 (0.59) HMGB1FOLH1ALDH1A1ALOX15CLCN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2786998-B1 THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-07-25 EP disclosed
US-9045491-B2 Thienyl [3,2-D] pyrimidin-4-one compounds, preparation method, pharmaceutical compositions and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-02 US disclosed
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-30 US disclosed
EP-2786998-A1 THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-10-08 EP disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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 (2 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-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF DPP4, DPP7, DPP3 MRGPRX4 947/4885HMGB1 3450/4885FOLH1 208/4885
US-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 MRGPRX4 730/4885HMGB1 310/4885FOLH1 131/4885

“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.