SCHEMBL875378

SCHEMBL875378

O=c1nc(Cl)cc2n1CCc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 12/20 0.54
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
HK1 P19367 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 1/20 0.43
TSHR P16473 1/20 0.43
PDE4A P27815 3/20 0.41

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
SCHEMBL877584 0.84 GPR84 (0.44) GPR84KDM4EALDH1A1POLBHK1
SCHEMBL31191149 0.82 ALDH1A1 (0.41) GPR84KDM4EALDH1A1POLBHK1
SCHEMBL878285 0.82 KMT2A (0.47) GPR84KDM4EALDH1A1POLBHK1
SCHEMBL878468 0.82 KMT2A (0.47) GPR84KDM4EALDH1A1POLBHK1
SCHEMBL875194 0.79 GPR84 (0.62) GPR84KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL31620962 0.78 ALDH1A1 (0.43) GPR84KDM4EALDH1A1POLBHK1
SCHEMBL14128843 0.78 ALDH1A1 (0.45) GPR84KDM4EALDH1A1POLBHK1
SCHEMBL8128496 0.77 KDM4E (0.70) GPR84KDM4EALDH1A1POLBHKDC1
SCHEMBL15094510 0.76 GPR84 (0.51) GPR84
SCHEMBL18174162 0.76 GPR84 (0.42) GPR84KDM4EALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
EP-0973773-A1 PYRIMIDO-ISOQUINOLINE COMPOUNDS WITH ANTICONVULSIVE ACTION SMITHKLINE BEECHAM PLC (GB) 2000-01-26 EP disclosed
WO-1998045293-A1 PYRIMIDO-ISOQUINOLINE COMPOUNDS WITH ANTICONVULSIVE ACTION SMITHKLINE BEECHAM PLC (GB) 1998-10-15 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 (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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 GPR84 1075/4885KDM4E 4272/4885ALDH1A1 3675/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 GPR84 1075/4885KDM4E 4272/4885ALDH1A1 3675/4885

“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.