SCHEMBL4926432

SCHEMBL4926432

NCc1ccc(Nc2ncccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
PTK2 Q05397 5/20 0.46
BRAF P15056 1/20 0.45
CYP2A6 P11509 1/20 0.43
PLAU P00749 3/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
KLK1 P06870 1/20 0.43
PRSS1 P07477 1/20 0.43
SYK P43405 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
KCNH3 Q9ULD8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL27692143 0.81 SYK (0.57) ADRB2CYP2A6SYK
SCHEMBL12346576 0.80 SCN9A (0.64) PTK2SYK
SCHEMBL7531008 0.80 RAB9A (0.56)
SCHEMBL5025515 0.79 MEN1 (0.50) ADRB2
SCHEMBL31460972 0.79 F9 (0.46) PTK2BRAF
SCHEMBL258907 0.78 HRH3 (0.55) LOXL2HRH3
SCHEMBL4583809 0.77 RAD52 (0.56) PLAUSYK
SCHEMBL27638405 0.77 CA12 (0.59) ADRB2CYP2A6LOXL2
SCHEMBL15062783 0.75 CYP2C9 (0.46) ADRB2
SCHEMBL27692141 0.75 TAAR1 (0.53) ADRB2PTK2BRAFCYP2A6SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
WO-2006067462-A1 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2006-06-29 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 (1 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-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis OXTR, OPRL1, GPER1 ADRB2 85/4885PTK2 2603/4885BRAF 4837/4885

“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.